SCHEMBL2770286

SCHEMBL2770286

CNC(=S)Nc1noc2c(F)cccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 3/20 0.44
SSTR4 P31391 5/20 0.37
ALDH1A1 P00352 4/20 0.35
EPHX2 P34913 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2770774 0.85 ALDH1A1 (0.50) SMN1; SMN2TP53SSTR4ALDH1A1GAA
SCHEMBL2768663 0.83 RAB9A (0.48) SMN1; SMN2TP53ALDH1A1GAACYP1A2
SCHEMBL2768768 0.83 SMN1; SMN2 (0.44) SMN1; SMN2TP53SSTR4ALDH1A1GAA
SCHEMBL2767478 0.82 KMT2A (0.53) SMN1; SMN2TP53SSTR4ALDH1A1GAA
SCHEMBL2770294 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TP53ALDH1A1GAAMAPT
SCHEMBL2768680 0.79 MEN1 (0.48) SMN1; SMN2TP53ALDH1A1GAACYP1A2
SCHEMBL2769700 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALDH1A1EPHX2GAA
SCHEMBL2769899 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALDH1A1EPHX2GAA
SCHEMBL2768684 0.76 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1EPHX2GAA
SCHEMBL2788916 0.74 SMN1; SMN2 (0.47) SMN1; SMN2TP53SSTR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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 (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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 1349/4885TP53 4784/4885SSTR4 3748/4885

“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.