SCHEMBL10189441

SCHEMBL10189441

COc1ccc(-c2csnc2-c2cc(C)c(OC)c(OC)c2)cc1NC(=O)CCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
EPHB4 P54760 1/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 7/20 0.39
HDAC1 Q13547 7/20 0.39
HDAC7 Q8WUI4 7/20 0.39
HDAC8 Q9BY41 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTB4R Q15722 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
SCHEMBL10189439 0.95 NPSR1 (0.39) GAATDP1L3MBTL1POLBMEN1
SCHEMBL616752 0.95 EGFR (0.43) EGFRGAATDP1L3MBTL1POLB
SCHEMBL10189445 0.90 NPSR1 (0.47) GAATDP1L3MBTL1POLBMEN1
SCHEMBL10189442 0.89 NPSR1 (0.41) GAATDP1L3MBTL1POLBHDAC3
SCHEMBL617922 0.89 HDAC3 (0.41) TDP1POLBMEN1KMT2AHDAC3
SCHEMBL617921 0.89 HDAC3 (0.41) TDP1POLBMEN1KMT2AHDAC3
SCHEMBL10189443 0.86 POLB (0.41) GAATDP1L3MBTL1POLBMEN1
SCHEMBL10189237 0.85 ALDH1A1 (0.44) MEN1KMT2ATSHRCYP3A4CYP2C19
SCHEMBL10189427 0.85 S1PR1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL10189429 0.85 S1PR1 (0.38) L3MBTL1MEN1KMT2A

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 EGFR 257/4885EPHB4 2932/4885GAA 597/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 EGFR 257/4885EPHB4 2932/4885GAA 597/4885

“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.