SCHEMBL1703668

SCHEMBL1703668

CC(=O)c1cc(CCl)on1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 4/20 0.41
MAPK1 P28482 2/20 0.41
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.37
VHL P40337 1/20 0.37
EGFR P00533 1/20 0.36
GAA P10253 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
SCHEMBL2328124 0.82 NOTUM (0.43) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL3066466 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5987816 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL6822779 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL18819583 0.80 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5988237 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL1706000 0.80 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10644438 0.79 MRGPRX4 (0.55) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL17296417 0.79 S1PR1 (0.41) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL4033216 0.78 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R ALDH1A1 358/4885SMN1; SMN2 4596/4885MAPT 1392/4885
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 ALDH1A1 235/4885SMN1; SMN2 3746/4885MAPT 700/4885

“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.