SCHEMBL2768680

SCHEMBL2768680

C=CCNC(=S)Nc1noc2c(F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 5/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 0.84 ALDH1A1 (0.50) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2768768 0.81 SMN1; SMN2 (0.44) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2767478 0.81 KMT2A (0.53) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2771152 0.80 MEN1 (0.52) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL2770286 0.79 SMN1; SMN2 (0.44) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL2770294 0.79 SMN1; SMN2 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2769899 0.78 SMN1; SMN2 (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2769700 0.78 SMN1; SMN2 (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2768663 0.77 RAB9A (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2767445 0.74 KDM4E (0.56) MEN1KMT2ALMNAMAPTALDH1A1

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 3 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-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 MEN1 3801/4885KMT2A 197/4885LMNA 1716/4885

“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.