SCHEMBL2706310

SCHEMBL2706310

CN(C)Cc1ccc(C(=O)CCl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 2/20 0.42
MCHR1 Q99705 5/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HCAR3 P49019 2/20 0.38
RAB9A P51151 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL12412592 0.83 KMT2A (0.45) ALDH1A1MAPTPOLBMAPK1HDAC6
SCHEMBL1713633 0.81 HCAR3 (0.55) ALDH1A1MAPTHPGDCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2821116 0.80 HCAR3 (0.54) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL27810972 0.80 HCAR3 (0.54) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL250023 0.77 MAPK1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL6351750 0.75 CA12 (0.47) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL13706438 0.74 HDAC1 (0.55) ALDH1A1MAPTPOLBSMN1; SMN2GSK3B
SCHEMBL4899048 0.72 NAPRT (0.62) ALDH1A1MAPTPOLBSMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL4894083 0.70 NAPRT (0.60) ALDH1A1MAPTPOLBSMN1; SMN2GSK3B
SCHEMBL9670852 0.70 GSK3B (0.48) ALDH1A1MAPTPOLBSMN1; SMN2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MAPT 2207/4885POLB 2513/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MAPT 2207/4885POLB 2513/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 ALDH1A1 474/4885MAPT 3274/4885POLB 4019/4885

“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.