SCHEMBL3249094

SCHEMBL3249094

COc1c([N+](=O)[O-])ccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 2/20 0.41
PIN1 Q13526 2/20 0.40
TXNRD1 Q16881 2/20 0.40
MERTK Q12866 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
JAK2 O60674 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30064948 1.00 ALDH1A1 (0.41) ALDH1A1KMT2ATDP1MEN1KDM4E
SCHEMBL22604844 0.85 MERTK (0.53) ALDH1A1KMT2APIN1MERTKNPC1
SCHEMBL28702178 0.82 PIN1 (0.57) ALDH1A1KMT2ATDP1MEN1PIN1
SCHEMBL5217925 0.81 MAOA (0.42) ALDH1A1KMT2ATDP1MEN1TXNRD1
SCHEMBL22604807 0.80 PIN1 (0.58) ALDH1A1KMT2ATDP1MEN1PIN1
SCHEMBL9501122 0.77 TDP1 (0.50) ALDH1A1KMT2ATDP1MEN1KDM4E
SCHEMBL22501504 0.76 KMT2A (0.60) ALDH1A1KMT2ATDP1MEN1KDM4E
SCHEMBL1522100 0.76 TDP1 (0.50) ALDH1A1KMT2ATDP1MEN1KDM4E
SCHEMBL2238161 0.76 ALDH1A1 (0.38) ALDH1A1KMT2ATDP1MEN1KDM4E
SCHEMBL14475932 0.76 NPC1 (0.38) ALDH1A1KMT2ATDP1MEN1TXNRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
EP-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO disclosed
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-11-13 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO ALDH1A1 269/4885KMT2A 2640/4885TDP1 2143/4885
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors S100A9, S100B, S100A10 ALDH1A1 4109/4885KMT2A 3107/4885TDP1 3192/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 ALDH1A1 4109/4885KMT2A 3107/4885TDP1 3192/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3370/4885KMT2A 2081/4885TDP1 2926/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK ALDH1A1 238/4885KMT2A 2379/4885TDP1 2231/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3370/4885KMT2A 2081/4885TDP1 2926/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS ALDH1A1 342/4885KMT2A 2143/4885TDP1 1780/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B ALDH1A1 4370/4885KMT2A 4315/4885TDP1 2604/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.