SCHEMBL2769247

SCHEMBL2769247

S=C(Nc1noc2ccccc12)NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.57
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 3/20 0.51
LMNA P02545 4/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX12 P18054 2/20 0.47
NPC1 O15118 1/20 0.47
CACNA1B Q00975 1/20 0.46

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
SCHEMBL2768958 0.99 HIF1A (0.55) HIF1AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2770375 0.93 HIF1A (0.48) HIF1AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2770589 0.81 MAPT (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2770475 0.81 SMN1; SMN2 (0.49) HIF1AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2768684 0.76 SMN1; SMN2 (0.51) HIF1AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2768746 0.75 TP53 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL2769319 0.75 ALDH1A1 (0.55) HIF1AALDH1A1SMN1; SMN2MEN1KMT2A
Cyclohexane SCHEMBL2446980 0.73 TP53 (0.58) HIF1ASMN1; SMN2MAPT
SCHEMBL2768300 0.72 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL2768065 0.72 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 HIF1A 1664/4885ALDH1A1 1965/4885SMN1; SMN2 1349/4885

“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.