SCHEMBL2401537

SCHEMBL2401537

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CASP3 P42574 1/20 0.42
CTSK P43235 1/20 0.42
CTSF Q9UBX1 1/20 0.42
HPGD P15428 4/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TGM2 P21980 2/20 0.39
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PSMD14 O00487 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 0.88 SMN1; SMN2 (0.45) LMNAALDH1A1CTSLCTSBCASP3
SCHEMBL6431092 0.85 AVPR1A (0.41) AVPR1ALMNAALDH1A1CTSLCTSB
SCHEMBL2401308 0.84 HPGD (0.41) LMNAALDH1A1HPGDPOLBHTT
SCHEMBL2399133 0.83 AVPR1A (0.45) AVPR1ALMNAALDH1A1POLBTGM2
SCHEMBL2400885 0.81 ABL1 (0.46) LMNAALDH1A1HPGDPOLBHTT
SCHEMBL2401978 0.81 RAB9A (0.45) LMNAALDH1A1CTSLCTSBCASP3
SCHEMBL6413248 0.80 AVPR1A (0.54) AVPR1ALMNAALDH1A1POLBHTT
SCHEMBL2402651 0.80 HPGD (0.43) LMNAALDH1A1HPGDHTTKDM4E
SCHEMBL2401319 0.80 SMN1; SMN2 (0.41) ALDH1A1HPGDMAPK1HTTPKM
SCHEMBL2401534 0.78 HPGD (0.42) LMNAALDH1A1HPGDPOLBHTT

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 AVPR1A 319/4885LMNA 1973/4885ALDH1A1 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.