SCHEMBL2768685

SCHEMBL2768685

C=CCN(S)C(=O)Nc1noc2c(F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
SSTR4 P31391 9/20 0.38
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2770776 0.87 SMN1; SMN2 (0.46) TP53SMN1; SMN2SSTR4
SCHEMBL2771154 0.81 TP53 (0.48) TP53SMN1; SMN2
SCHEMBL2768680 0.73 MEN1 (0.48) TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2440991 0.70 SMN1; SMN2 (0.59) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2442532 0.70 SMN1; SMN2 (0.59) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2442094 0.69 TP53 (0.67) TP53SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2788916 0.69 SMN1; SMN2 (0.47) TP53SMN1; SMN2SSTR4L3MBTL1
SCHEMBL2442783 0.68 SMN1; SMN2 (0.49) TP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2439672 0.68 TP53 (0.54) TP53SMN1; SMN2SSTR4ALDH1A1KMT2A
SCHEMBL2438472 0.68 SMN1; SMN2 (0.52) TP53SMN1; SMN2SSTR4ALDH1A1L3MBTL1

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 TP53 4784/4885SMN1; SMN2 1349/4885SSTR4 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.