SCHEMBL4168090

SCHEMBL4168090

Cc1nc(C)c(CCl)cc1CCl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL3510100 0.77 SMN1; SMN2 (0.39) KMT2ANPSR1SMN1; SMN2
SCHEMBL3640530 0.74 KMT2A (0.65) KMT2ANPSR1SMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL6991460 0.73 KMT2A (0.62) KMT2ANPSR1SMN1; SMN2HTTALDH1A1
SCHEMBL4167074 0.72 MEN1 (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11321780 0.72 KMT2A (0.32) KMT2ANPSR1SMN1; SMN2HTT
SCHEMBL15211213 0.72 CCR1 (0.39) KMT2ANPSR1SMN1; SMN2HTTALDH1A1
SCHEMBL3403920 0.71 KMT2A (0.33) KMT2ANPSR1ALDH1A1
SCHEMBL1336683 0.71 PGK1 (0.42) KMT2ANPSR1ALDH1A1
SCHEMBL403867 0.70 KMT2A (0.39) KMT2ANPSR1SMN1; SMN2HTTALDH1A1
SCHEMBL18998281 0.70 KMT2A (0.35) KMT2ANPSR1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 — — US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 — — US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 — — US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 — — EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 — — US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 — — US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 — — US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 — — 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 (2 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC KMT2A 3555/4885NPSR1 1579/4885SMN1; SMN2 4596/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC KMT2A 3431/4885NPSR1 1161/4885SMN1; SMN2 4572/4885

“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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