SCHEMBL2401534

SCHEMBL2401534

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)C=Cc3ccccc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 6/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
METAP2 P50579 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL6412136 0.85 SMN1; SMN2 (0.39) HPGDRAB9APOLBSMN1; SMN2LMNA
SCHEMBL2402651 0.82 HPGD (0.43) HPGDRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6410324 0.80 RAB9A (0.53) HPGDRAB9APOLBSMN1; SMN2LMNA
SCHEMBL2402507 0.80 RAB9A (0.53) HPGDRAB9APOLBSMN1; SMN2LMNA
SCHEMBL2575305 0.79 SMN1; SMN2 (0.45) HPGDPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL2405040 0.78 PKM (0.47) HPGDRAB9APOLBSMN1; SMN2LMNA
SCHEMBL6785148 0.78 HPGD (0.40) HPGDRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2400885 0.78 ABL1 (0.46) HPGDRAB9APOLBSMN1; SMN2LMNA
SCHEMBL2401537 0.78 AVPR1A (0.43) HPGDPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL2401319 0.77 SMN1; SMN2 (0.41) HPGDRAB9ASMN1; SMN2ALDH1A1MEN1

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 443/4885RAB9A 2221/4885POLB 1636/4885

“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.