SCHEMBL10189433

SCHEMBL10189433

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CIT O14578 2/20 0.38
AAK1 Q2M2I8 7/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKCZ Q05513 1/20 0.33
GPR142 Q7Z601 1/20 0.33

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
SCHEMBL10189432 1.00 CIT (0.38) CITAAK1MEN1POLBKMT2A
SCHEMBL10241731 0.95 CIT (0.40) CITAAK1MEN1POLBKMT2A
SCHEMBL10240758 0.95 CIT (0.40) CITAAK1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL622593 0.94 CIT (0.39) CITAAK1MEN1POLBKMT2A
SCHEMBL10189425 0.93 CIT (0.38) CITAAK1LMNAALDH1A1GPR142
SCHEMBL10189426 0.93 CIT (0.38) CITAAK1LMNAALDH1A1GPR142
SCHEMBL10189430 0.92 CIT (0.35) CITAAK1MEN1POLBKMT2A
SCHEMBL10189431 0.92 CIT (0.35) CITAAK1MEN1POLBKMT2A
SCHEMBL10189378 0.89 LMNA (0.38) CITAAK1LMNAMAPTALDH1A1
SCHEMBL10189427 0.88 S1PR1 (0.38) CITAAK1MEN1KMT2ALMNA

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 CIT 337/4885AAK1 3020/4885MEN1 1571/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885MEN1 1571/4885

“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.