SCHEMBL2401308

SCHEMBL2401308

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc(Cl)c3F)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
DCTPP1 Q9H773 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK14 Q16539 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL2575305 0.91 SMN1; SMN2 (0.45) HPGDPOLBTP53LMNASMN1; SMN2
SCHEMBL6410177 0.86 POLB (0.38) HPGDPOLBTP53LMNASMN1; SMN2
SCHEMBL2403261 0.85 HTR1A (0.45) ALDH1A1KDM4E
SCHEMBL2401537 0.84 AVPR1A (0.43) HPGDPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL2401978 0.83 RAB9A (0.45) HPGDPOLBLMNAALDH1A1KDM4E
SCHEMBL2400990 0.81 POLB (0.57) POLBALDH1A1KDM4ETSHRCYP1A2
SCHEMBL2402952 0.81 HPGD (0.39) HPGDPOLBTP53LMNASMN1; SMN2
SCHEMBL6409626 0.81 HPGD (0.41) HPGDALDH1A1
SCHEMBL2400885 0.80 ABL1 (0.46) HPGDPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL2402651 0.78 HPGD (0.43) HPGDTP53LMNASMN1; SMN2ALDH1A1

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 1636/4885TP53 3433/4885

“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.