SCHEMBL1796231

SCHEMBL1796231

ClCc1cnoc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37
TUBB2B Q9BVA1 3/20 0.37
TUBB1 Q9H4B7 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5774887 0.81 CYP19A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL5772173 0.81 TDO2 (0.55) TDO2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL10205956 0.80 TDO2 (0.39) TDO2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL5775970 0.78 TDO2 (0.51) TDO2ALDH1A1HPGDNOTUMPTPN1
SCHEMBL5775812 0.78 CYP19A1 (0.34) LMNANPC1RAB9AMAPK1CYP2C19
SCHEMBL5775635 0.78 MEN1 (0.39) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL27350305 0.77 TDO2 (0.39) TDO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5773828 0.77 NR4A2 (0.47) TDO2ALDH1A1LMNAHPGDMAPK1
SCHEMBL5776248 0.75 TDO2 (0.45) TDO2ALDH1A1NOTUMPTPN1NR4A2
SCHEMBL5774472 0.74 RXRA (0.50) ALDH1A1LMNAHPGDMAPK1TDP1

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-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
EP-1656368-A4 SUBSTITUTED HERTOCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2009-08-26 EP disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
EP-1656368-A2 SUBSTITUTED HERTOCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004004665-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-4256480-A Isoxazolyl-alkyl thiocarbamates and herbicidal compositions thereof PHILAGRO (FR) 1981-03-17 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-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R TDO2 1935/4885ALDH1A1 4235/4885LMNA 161/4885
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GPR119, SLC5A2, GLP1R TDO2 1624/4885ALDH1A1 3824/4885LMNA 362/4885

“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.