SCHEMBL9976769

SCHEMBL9976769

Cc1cccc(CSSCc2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.49
IDO1 P14902 5/20 0.49
PNMT P11086 2/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.43
CXCR4 P61073 1/20 0.43
CYP3A4 P08684 1/20 0.43
AGXT P21549 1/20 0.43
PTPRC P08575 1/20 0.42
PTPRG P23470 1/20 0.42
AOC3 Q16853 1/20 0.42
EGFR P00533 1/20 0.42
MET P08581 1/20 0.42
DHODH Q02127 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
SCHEMBL9976779 0.93 IDO1 (0.46) TAAR1IDO1PNMTTP53MAPT
SCHEMBL2803352 0.88 IDO1 (0.58) TAAR1IDO1PNMTCYP3A4AGXT
SCHEMBL2804525 0.88 TAAR1 (0.58) TAAR1IDO1MAPTLMNACYP3A4
SCHEMBL26049437 0.85 IDO1 (0.51) TAAR1IDO1PNMTPOLBCYP3A4
SCHEMBL14685891 0.82 TAAR1 (0.53) TAAR1IDO1PNMTTP53MAPT
SCHEMBL18773953 0.82 TAAR1 (0.59) TAAR1PNMTAOC3
SCHEMBL9976793 0.80 IDO1 (0.55) TAAR1IDO1PNMTCYP3A4AGXT
SCHEMBL9976772 0.80 TAAR1 (0.55) TAAR1IDO1MAPTLMNACYP3A4
SCHEMBL4267674 0.80 TAAR1 (0.55) TAAR1IDO1MAPTLMNACYP3A4
SCHEMBL26049509 0.80 IDO1 (0.47) TAAR1IDO1PNMTCYP3A4AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 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-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 TAAR1 3367/4885IDO1 935/4885PNMT 3009/4885

“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.