SCHEMBL9976779

SCHEMBL9976779

Cc1cccc(CSSSSCc2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.46
TAAR1 Q96RJ0 5/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
PNMT P11086 2/20 0.44
CXCR4 P61073 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.41
AGXT P21549 2/20 0.41
PTPRC P08575 1/20 0.40
PTPRG P23470 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL9976769 0.93 TAAR1 (0.49) IDO1TAAR1TP53MAPTLMNA
SCHEMBL9976793 0.89 IDO1 (0.55) IDO1TAAR1PNMTCYP3A4AGXT
SCHEMBL9976772 0.89 TAAR1 (0.55) IDO1TAAR1MAPTLMNACYP3A4
SCHEMBL4267674 0.85 TAAR1 (0.55) IDO1TAAR1MAPTLMNACYP3A4
SCHEMBL2804525 0.81 TAAR1 (0.58) IDO1TAAR1MAPTLMNACYP3A4
SCHEMBL2803352 0.81 IDO1 (0.58) IDO1TAAR1PNMTCYP3A4AGXT
SCHEMBL18773953 0.80 TAAR1 (0.59) TAAR1PNMTAOC3
SCHEMBL14685891 0.80 TAAR1 (0.53) IDO1TAAR1TP53MAPTPNMT
SCHEMBL9976778 0.79 TAAR1 (0.50) IDO1TAAR1LMNA
SCHEMBL26049437 0.78 IDO1 (0.51) IDO1TAAR1PNMTPOLBCYP3A4

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 IDO1 935/4885TAAR1 3367/4885TP53 1458/4885

“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.