SCHEMBL2401978

SCHEMBL2401978

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 1/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CASP3 P42574 1/20 0.41
CTSK P43235 1/20 0.41
CTSF Q9UBX1 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL2403261 0.90 HTR1A (0.45) KDM4EALDH1A1HTR1A
SCHEMBL6411592 0.85 POLB (0.41) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL2400885 0.85 ABL1 (0.46) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL2399304 0.84 FKBP1A (0.48) RAB9APOLBKDM4EMAPTALDH1A1
SCHEMBL2575305 0.84 SMN1; SMN2 (0.45) POLBKDM4EMAPTALDH1A1EPHX2
SCHEMBL2401319 0.83 SMN1; SMN2 (0.41) RAB9AMAPTALDH1A1HPGDNPC1
SCHEMBL2401308 0.83 HPGD (0.41) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL2401537 0.81 AVPR1A (0.43) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL2400990 0.81 POLB (0.57) POLBKDM4EALDH1A1
SCHEMBL2581596 0.80 HPGD (0.39) RAB9AKDM4EMAPTALDH1A1EPHX2

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
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 RAB9A 2221/4885POLB 1636/4885KDM4E 356/4885

“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.