SCHEMBL2803352

SCHEMBL2803352

Clc1cccc(CSSCc2cccc(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
PNMT P11086 2/20 0.58
TAAR1 Q96RJ0 3/20 0.54
CYP3A4 P08684 2/20 0.52
AGXT P21549 2/20 0.52
PTPRC P08575 1/20 0.49
PTPRG P23470 1/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL26049437 0.92 IDO1 (0.51) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL9976793 0.91 IDO1 (0.55) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL9976769 0.88 TAAR1 (0.49) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL26049509 0.87 IDO1 (0.47) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL31366769 0.86 IDO1 (0.58) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL11285023 0.82 IDO1 (0.47) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL28722772 0.82 IDO1 (0.47) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL1145793 0.82 IDO1 (0.55) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL1145790 0.82 IDO1 (0.55) IDO1PNMTTAAR1CYP3A4AGXT
SCHEMBL9976779 0.81 IDO1 (0.46) IDO1PNMTTAAR1CYP3A4AGXT

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 7 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-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
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
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
WO-2010045582-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-04-22 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-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 IDO1 935/4885PNMT 3009/4885TAAR1 3367/4885

“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.