Sugi Predict

Sugi Predict / Compounds / SCHEMBL5996586

SCHEMBL5996586

SCHEMBL5996586

ClCC1=NOC(c2ccccc2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HTR2A P28223 5/20 0.38
▸ HTR2C P28335 5/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ LDHA P00338 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL5997779 0.86 TP53 (0.39) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL5997185 0.78 TSHR (0.49) MAOBMAPT
SCHEMBL12305009 0.77 TP53 (0.42) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL2740656 0.77 TP53 (0.42) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL12896371 0.77 TP53 (0.42) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL12896288 0.77 TP53 (0.42) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL12896365 0.77 TP53 (0.42) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL5995370 0.71 LDHA (0.33) HTR2AHTR2CHTR2BLDHA
SCHEMBL3682659 0.68 TP53 (0.40) TP53RECQLHTR2AHTR2CHTR2B
SCHEMBL938227 0.67 TAAR1 (0.47) TP53RECQLHTR2AHTR2CHTR2B

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-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 — — US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 — — EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 — — US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 — — 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 (1 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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD TP53 4003/4885RECQL 2799/4885HTR2A 1763/4885

“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.