SCHEMBL2234808

SCHEMBL2234808

Cc1ccc([N+](=O)[O-])cc1NCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.63
LMNA P02545 2/20 0.61
KMT2A Q03164 9/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 4/20 0.50
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL2234704 0.86 KAT2B (0.60) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL110398 0.84 KAT2B (0.68) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL623563 0.82 MEN1 (0.65) LMNAKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10489329 0.82 KAT2B (0.69) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL18024805 0.82 RECQL (0.65) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7349997 0.81 MAPT (0.62) KMT2AALDH1A1HPGDKDM4EMAPT
SCHEMBL8249825 0.81 KAT2B (0.81) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7355209 0.80 MAPT (0.54) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL14502631 0.80 KMT2A (0.77) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL10489384 0.79 KAT2B (0.74) KAT2BLMNAKMT2AALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
EP-2536722-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS Debiopharm S.A. (CH) 2012-12-26 EP disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 WO disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 WO disclosed
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP 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 (2 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-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 KAT2B 2059/4885LMNA 4805/4885KMT2A 1825/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 KAT2B 2059/4885LMNA 4805/4885KMT2A 1825/4885

“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.