SCHEMBL2402952

SCHEMBL2402952

Cc1ccc(F)c(C(=O)N2CCC3(CC2)CC(C(=O)NCc2cccs2)=NO3)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
RECQL P46063 1/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6410959 0.86 GAA (0.36) HPGDPOLBALDH1A1MEN1NPC1
SCHEMBL2403261 0.82 HTR1A (0.45) ALDH1A1
SCHEMBL2401308 0.81 HPGD (0.41) HPGDPOLBALDH1A1HTTTP53
SCHEMBL6410042 0.80 GPR119 (0.40) HPGDALDH1A1MEN1KMT2AGPR119
SCHEMBL2401319 0.79 SMN1; SMN2 (0.41) HPGDALDH1A1MEN1NPC1KMT2A
SCHEMBL2400885 0.79 ABL1 (0.46) HPGDPOLBALDH1A1MEN1NPC1
SCHEMBL2401978 0.79 RAB9A (0.45) HPGDPOLBALDH1A1NPC1LMNA
SCHEMBL2400990 0.79 POLB (0.57) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL2575305 0.78 SMN1; SMN2 (0.45) HPGDPOLBALDH1A1HTTRECQL
SCHEMBL2402651 0.78 HPGD (0.43) HPGDALDH1A1NPC1HTTTP53

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 HPGD 443/4885POLB 1636/4885ALDH1A1 156/4885

“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.