SCHEMBL13181765

SCHEMBL13181765

CC(=O)Nc1cccc(CNCl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
AOC3 Q16853 1/20 0.50
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
NPC1 O15118 1/20 0.48
NLRP3 Q96P20 1/20 0.48

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
SCHEMBL8947527 0.85 NPSR1 (0.56) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL19222909 0.85 NPSR1 (0.56) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL1742555 0.83 ALDH1A1 (0.58) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL2931524 0.82 HSD17B10 (0.57) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL1548607 0.81 ALDH1A1 (0.59) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL1817688 0.81 RAB9A (0.64) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL840217 0.81 ALDH1A1 (0.59) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL7666457 0.81 ALDH1A1 (0.59) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL21760240 0.81 NPSR1 (0.52) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A
SCHEMBL27428918 0.81 NPSR1 (0.52) NPSR1ALDH1A1HSD17B10CYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 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 (3 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 NPSR1 1828/4885ALDH1A1 1908/4885HSD17B10 1090/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 NPSR1 1828/4885ALDH1A1 1908/4885HSD17B10 1090/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 NPSR1 1828/4885ALDH1A1 1908/4885HSD17B10 1090/4885

“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.