SCHEMBL2786776

SCHEMBL2786776

C=CCNC(=S)Nc1noc2ccc(C)cc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.46
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL2771152 0.82 MEN1 (0.52) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3564260 0.79 MAPT (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2784411 0.74 EPHX2 (0.56) LMNAALDH1A1GAAMAPTRAB9A
SCHEMBL2786779 0.73 MAPT (0.43) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL18727404 0.72 MAPT (0.52) LMNAKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL2768680 0.71 MEN1 (0.48) LMNAALDH1A1GAAKDM4ECYP1A2
SCHEMBL11513904 0.71 KMT2A (0.64) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2786774 0.71 MAPT (0.43) LMNAALDH1A1KDM4EMAPTRAB9A
SCHEMBL2787490 0.71 POLB (0.42) GAAKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL18697150 0.69 MAPT (0.47) LMNAMAPTRAB9ANPC1

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 LMNA 1716/4885ALDH1A1 1965/4885GAA 3898/4885

“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.