SCHEMBL4568137

SCHEMBL4568137

COC(=O)c1cccc(Cc2c(-c3ccccc3)n(C)c3cc(C)ccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPK8 P45983 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
SCHEMBL4568164 0.90 ENPP2 (0.48) ENPP2PTGER1
SCHEMBL4568130 0.89 MEN1 (0.40) ENPP2SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL4568124 0.89 MEN1 (0.44) MAPTALDH1A1MAPK8PTGER1
SCHEMBL4568125 0.89 ENPP2 (0.49) ENPP2MRGPRX4MAPTMAPK8PTGER1
SCHEMBL4568131 0.87 PTGER1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL11977715 0.85 BRD4 (0.39) ENPP2ALDH1A1HPGDLMNAPTGER1
SCHEMBL11979669 0.85 SCN9A (0.41) ENPP2
SCHEMBL4568142 0.81 PTGER1 (0.46) ENPP2PTGER1
SCHEMBL4568158 0.80 ENPP2 (0.45) ENPP2
SCHEMBL27862257 0.80 MAPT (0.46) ENPP2SMN1; SMN2MAPTALDH1A1HPGD

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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R ENPP2 595/4885MRGPRX4 273/4885SMN1; SMN2 4661/4885

“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.