SCHEMBL2401319

SCHEMBL2401319

CCc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)NCc2cccs2)=NO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 8/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
USP7 Q93009 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A7 Q99884 1/20 0.40
NAMPT P43490 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL2400885 0.89 ABL1 (0.46) SMN1; SMN2HTTRAB9AHPGDALDH1A1
SCHEMBL6410752 0.85 USP7 (0.39) SMN1; SMN2HTTRAB9AHPGDALDH1A1
SCHEMBL2581596 0.84 HPGD (0.39) SMN1; SMN2RAB9AHPGDALDH1A1NPC1
SCHEMBL2403261 0.83 HTR1A (0.45) ALDH1A1
SCHEMBL2401978 0.83 RAB9A (0.45) RAB9AHPGDALDH1A1NPC1MAPT
SCHEMBL2575305 0.81 SMN1; SMN2 (0.45) SMN1; SMN2HTTHPGDALDH1A1TSHR
SCHEMBL2402651 0.81 HPGD (0.43) SMN1; SMN2HTTRAB9AHPGDALDH1A1
SCHEMBL6785148 0.80 HPGD (0.40) SMN1; SMN2HTTRAB9AHPGDALDH1A1
SCHEMBL2401537 0.80 AVPR1A (0.43) SMN1; SMN2HTTHPGDALDH1A1PKM
SCHEMBL2400758 0.80 SLC6A7 (0.44) SMN1; SMN2HTTALDH1A1TSHRMEN1

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 SMN1; SMN2 1407/4885HTT 2094/4885RAB9A 2221/4885

“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.