SCHEMBL7909121

SCHEMBL7909121

c1ccc(CSCCCSCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
HTT P42858 1/20 0.47
IDO1 P14902 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CA2 P00918 1/20 0.42
GBA1 P04062 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6306047 0.95 CYP2C19 (0.59) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL28965534 0.92 CYP2C19 (0.57) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL3078147 0.89 CYP2C19 (0.64) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL8748290 0.87 CYP2C19 (0.48) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL5979449 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL10332678 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL4088646 0.86 CYP2C19 (0.57) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL10993775 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL2561339 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6042549 0.86 CYP2C19 (0.52) CYP2C19CYP1A2CYP2D6CYP3A4CYP2C9

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-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders CARMEL BIOSCIENCES, INC. 2011-10-20 US disclosed
US-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders CARMEL BIOSCIENCES, INC. 2011-10-20 US disclosed
WO-2010045575-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF RENIN-ANGIOTENSIN ALDOSTERONE SYSTEM (RAAS)-RELATED DISORDERS INVASC THERAPEUTICS, INC. (US) 2010-04-22 WO disclosed
US-5095091-A High molecular weight SHELL OIL COMPANY (US) 1992-03-10 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 (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-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders REN, ACE, AGT CYP2C19 1036/4885CYP1A2 885/4885CYP2D6 2061/4885

“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.