SCHEMBL9976771

SCHEMBL9976771

Cc1ccc(CSSCc2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 4/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 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
SCHEMBL9976774 0.91 BCHE (0.54) BCHEACHEMEN1KMT2ANPC1
SCHEMBL1082679 0.88 IDO1 (0.54) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL2802287 0.88 IDO1 (0.54) BCHEACHERAB9AIDO1GAA
SCHEMBL10657873 0.81 MEN1 (0.67) BCHEACHEMEN1KMT2ANPC1
SCHEMBL22894334 0.81 MEN1 (0.67) BCHEACHEMEN1KMT2ANPC1
SCHEMBL17752846 0.79 ACHE (0.53) BCHEACHEMEN1KMT2AL3MBTL1
SCHEMBL9976788 0.78 IDO1 (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4267616 0.78 IDO1 (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL10389845 0.78 RAB9A (0.53) BCHEACHEMEN1KMT2ANPC1
SCHEMBL12809556 0.78 CNR2 (0.55) BCHEACHEMEN1KMT2ANPC1

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 BCHE 1108/4885ACHE 1802/4885MEN1 2555/4885

“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.