SCHEMBL9976775

SCHEMBL9976775

Cc1ccc(CSSSSCc2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
IDO1 P14902 3/20 0.52
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RAB9A P51151 2/20 0.44
TEAD4 Q15561 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
AGXT P21549 2/20 0.39

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
SCHEMBL9976791 0.89 ALDH1A1 (0.50) IDO1CYP1A2RAB9AALDH1A1TDP1
SCHEMBL9976773 0.89 IDO1 (0.50) ACHEIDO1CYP1A2CYP2A6TAAR1
SCHEMBL4260106 0.84 IDO1 (0.50) ACHEIDO1CYP1A2CYP2A6TAAR1
SCHEMBL13430587 0.81 IDO1 (0.44) ACHEIDO1CYP1A2CYP2A6TAAR1
SCHEMBL3241999 0.79 ALDH1A1 (0.55) IDO1CYP1A2RAB9AALDH1A1TDP1
SCHEMBL2802287 0.79 IDO1 (0.54) ACHEIDO1CYP1A2CYP2A6TAAR1
SCHEMBL9976774 0.79 BCHE (0.54) ACHEIDO1RAB9AALDH1A1POLB
SCHEMBL20132338 0.78 MEN1 (0.67) ACHEIDO1CYP1A2CYP2A6TAAR1
SCHEMBL20072374 0.76 ALDH1A1 (0.46) ACHEIDO1CYP1A2RAB9AALDH1A1
SCHEMBL2923178 0.75 CYP3A4 (0.74) ACHEIDO1CYP1A2CYP2A6TAAR1

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 ACHE 1802/4885IDO1 935/4885CYP1A2 2503/4885

“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.