SCHEMBL3370805

SCHEMBL3370805

C1=Nc2ccccc2Nc2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
PPARG P37231 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
AKT1 P31749 9/20 0.38
TRPA1 O75762 3/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL7452767 0.86 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2MEN1KMT2AUSP2
SCHEMBL9004905 0.84 TRPA1 (0.37) SMN1; SMN2CYP1A2TRPA1GSK3B
SCHEMBL309794 0.77 MAPT (0.50) SMN1; SMN2MEN1KMT2AUSP2PPARG
SCHEMBL31095197 0.74 GAA (0.58) SMN1; SMN2CYP1A2AKT1KDM4EMAPT
SCHEMBL25873884 0.73 CYP1A2 (0.33) SMN1; SMN2CYP1A2GSK3B
SCHEMBL17803426 0.70 CYP1A2 (0.33) SMN1; SMN2CYP1A2MAPTGAAALDH1A1
SCHEMBL7476995 0.70 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2AKT1KDM4EMAPT
SCHEMBL7102226 0.70
SCHEMBL15985422 0.68 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2AKT1KDM4EMAPT
SCHEMBL11162416 0.68 MEN1 (0.44) SMN1; SMN2CYP1A2MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102201-B1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK SHARP & DOHME (US) 2010-10-13 EP disclosed
US-7517871-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-09-07 US disclosed
EP-0498290-B1 Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1996-09-18 EP disclosed
EP-0498290-A1 Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-08-12 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 (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-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 SMN1; SMN2 1583/4885CYP1A2 304/4885MEN1 3032/4885

“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.