SCHEMBL9976792

SCHEMBL9976792

Nc1cccc(CSSSSCc2cccc(N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 3/20 0.52
CYP19A1 P11511 2/20 0.50
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SLC11A2 P49281 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CCR2 P41597 3/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3244412 0.91 MAOB (0.56) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL9976778 0.89 TAAR1 (0.50) MAOBMAOACYP19A1ALDH1A1TDP1
SCHEMBL3248231 0.82 MAOB (0.56) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL14050626 0.80 MAOB (0.54) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL16176633 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL30515543 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL19199466 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL14153123 0.75 MAOB (0.48) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL9976793 0.74 IDO1 (0.55) CYP3A4TDP1SIGMAR1
SCHEMBL9976772 0.74 TAAR1 (0.55) CYP3A4ALDH1A1TDP1

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 5 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-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 MAOB 1513/4885MAOA 1923/4885CYP19A1 3496/4885

“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.