SCHEMBL12993

SCHEMBL12993

O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4284498 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL21961443 0.83 L3MBTL1 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28890722 0.81 FLT3 (0.58) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL9762450 0.73 CYP1A2 (0.56) ALDH1A1SMN1; SMN2MAPTPKMKMT2A
SCHEMBL182687 0.71 LMNA (0.41) KDM4ELMNA
SCHEMBL28505774 0.71 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTPKMMEN1
SCHEMBL15883826 0.71 KMT2A (0.61) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13079 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL3517466 0.70 CHRNA7 (0.41)
SCHEMBL3060652 0.70 GPR35 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
CN-102695710-B Tricyclic pyrazole sulfonamide derivatives MERCK SERONO S.A. (CH) 2015-08-19 CN disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
CN-102695710-A Tricyclic pyrazol amine derivatives MERCK SERONO SA 2012-09-26 CN disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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 (1 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ALDH1A1 3185/4885SMN1; SMN2 2692/4885KDM4E 1093/4885

“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.