SCHEMBL2786779

SCHEMBL2786779

C=CCN(S)C(=O)Nc1noc2ccc(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
HTR2C P28335 1/20 0.40
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
STK17B O94768 1/20 0.36

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
SCHEMBL2771154 0.83 TP53 (0.48) MAPTTP53SMN1; SMN2
SCHEMBL3553019 0.82 MAPT (0.43) MAPTHTR2CTP53LMNAPOLB
SCHEMBL18727404 0.75 MAPT (0.52) MAPTHTR2CTP53LMNAPOLB
SCHEMBL2786776 0.73 LMNA (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2768685 0.73 TP53 (0.42) TP53SMN1; SMN2
SCHEMBL2787494 0.73 TP53 (0.40) MAPTHTR2CTP53LMNAPOLB
SCHEMBL2437851 0.69 TP53 (0.56) MAPTTP53LMNAPOLBSMN1; SMN2
SCHEMBL2440241 0.69 SMN1; SMN2 (0.58) MAPTTP53POLBSMN1; SMN2THRB
SCHEMBL21240884 0.69 MAPT (0.46) MAPTHTR2CTP53LMNAPOLB
SCHEMBL2441879 0.68 MAPT (0.46) MAPTHTR2CTP53POLBTDP1

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 MAPT 2492/4885HTR2C 430/4885TP53 4784/4885

“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.