SCHEMBL13870776

SCHEMBL13870776

CNC(=O)NCc1cc(N)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ S1PR2 O95136 2/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SHMT2 P34897 2/20 0.32

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
SCHEMBL13870744 0.85 SMN1; SMN2 (0.39) HTTSMN1; SMN2LMNABAZ2BKMT2A
SCHEMBL13870783 0.83 HTT (0.35) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL13853522 0.83 HTT (0.45) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL13870640 0.83 HTT (0.61) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL13870778 0.81 HTT (0.34) HTTSMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL13870780 0.81 HTT (0.36) HTTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13870781 0.77 CYP1A2 (0.47) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL13870773 0.76 PDE7A (0.38) HTTSMN1; SMN2RAB9A
SCHEMBL13853642 0.71 NAMPT (0.45) HTTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL1292950 0.70 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 — — US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB HTT 898/4885SMN1; SMN2 3392/4885ALDH1A1 115/4885

“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.

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