SCHEMBL2769812

SCHEMBL2769812

N#Cc1ccc(NC(=O)N(S)c2noc3cc(Cl)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
NLRP3 Q96P20 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ABCC9 O60706 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR1 P21554 1/20 0.38
IDO1 P14902 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HIF1A Q16665 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
SCHEMBL2768960 0.86 P2RX1 (0.41) LMNAALDH1A1KMT2APOLBRXFP1
SCHEMBL2769297 0.83 NPC1 (0.45) HTTMAPTNPSR1ALDH1A1KMT2A
SCHEMBL2768643 0.76 HIF1A (0.49) LMNAHTTMAPTTSHRALDH1A1
SCHEMBL2769810 0.73 ABCC9 (0.48) TDP1LMNAHTTMAPTTSHR
SCHEMBL2769321 0.70 HIF1A (0.56) LMNANPSR1ALDH1A1KDM4EHIF1A
SCHEMBL2771191 0.69 SMN1; SMN2 (0.50) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL2769009 0.69 NPC1 (0.47) LMNAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL2785764 0.68 ABCC9 (0.45) TDP1LMNAHTTMAPTTSHR
SCHEMBL2768329 0.68 HIF1A (0.63) TDP1LMNAMAPTALDH1A1KDM4E
SCHEMBL2770643 0.67 MAPT (0.44) HTTMAPTNPSR1ALDH1A1KDM4E

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 TDP1 3167/4885LMNA 1716/4885HTT 2333/4885

“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.