SCHEMBL10189436

SCHEMBL10189436

COc1ccc(-c2csnc2-c2cc(C)c(OC)c(OC)c2)cc1NC(=O)[C@H](N)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.38
ERAP2 Q6P179 7/20 0.36
LNPEP Q9UIQ6 5/20 0.36
ERAP1 Q9NZ08 3/20 0.35
CIT O14578 1/20 0.35
AAK1 Q2M2I8 5/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL10189437 1.00 SUV39H2 (0.38) SUV39H2ERAP2LNPEPERAP1CIT
SCHEMBL10241746 0.95 SUV39H2 (0.40) SUV39H2ERAP2LNPEPERAP1CIT
SCHEMBL10242338 0.95 SUV39H2 (0.40) SUV39H2ERAP2LNPEPERAP1CIT
Hydrochloric Acid SCHEMBL623854 0.94 SUV39H2 (0.39) SUV39H2ERAP2LNPEPERAP1CIT
SCHEMBL10189431 0.89 CIT (0.35) CITAAK1LMNARXFP1
SCHEMBL10189427 0.89 S1PR1 (0.38) CITAAK1LMNARXFP1
SCHEMBL10189429 0.89 S1PR1 (0.38) CITAAK1LMNARXFP1
SCHEMBL10189430 0.89 CIT (0.35) CITAAK1LMNARXFP1
SCHEMBL10189438 0.88 LMNA (0.33) CITAAK1LMNARXFP1
SCHEMBL10189440 0.88 LMNA (0.33) CITAAK1LMNARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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 (2 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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 SUV39H2 2439/4885ERAP2 4040/4885LNPEP 3723/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 SUV39H2 2439/4885ERAP2 4040/4885LNPEP 3723/4885

“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.