SCHEMBL2770593

SCHEMBL2770593

O=C(NC1CCCC1)N(S)c1noc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HTR2A P28223 9/20 0.41
DRD3 P35462 9/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL2768962 0.83 HIF1A (0.58) RAB9ANPC1ALDH1A1KMT2AHIF1A
SCHEMBL2769249 0.82 HIF1A (0.60) RAB9ANPC1ALDH1A1KMT2AHIF1A
SCHEMBL2770378 0.78 HIF1A (0.51) RAB9ANPC1HTR2ADRD3KMT2A
SCHEMBL2768960 0.75 P2RX1 (0.41) RAB9ANPC1ALDH1A1KMT2AHIF1A
SCHEMBL2767341 0.73 SMN1; SMN2 (0.42) RAB9ANPC1ALDH1A1KMT2AHIF1A
SCHEMBL2769812 0.73 TDP1 (0.45) RAB9AALDH1A1KMT2AHIF1A
SCHEMBL2769297 0.73 NPC1 (0.45) RAB9ANPC1ALDH1A1KMT2AHIF1A
SCHEMBL4347655 0.71 MEN1 (0.47) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL2770589 0.71 MAPT (0.53) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL2768643 0.70 HIF1A (0.49) RAB9ANPC1ALDH1A1KMT2AHIF1A

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 RAB9A 3127/4885NPC1 2230/4885HTR2A 483/4885

“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.