SCHEMBL4568099

SCHEMBL4568099

COC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(C)ccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PARP1 P09874 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 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
SCHEMBL4568117 0.89 MRGPRX4 (0.49) RAB9APARP1MRGPRX4NR4A2IDH1
SCHEMBL4568119 0.89 PARP1 (0.42) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4568482 0.88 PARP1 (0.46) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4568169 0.88 ENPP2 (0.41) MRGPRX4
SCHEMBL4568491 0.86 PRMT5 (0.40) RAB9APARP1MRGPRX4KDM4EALDH1A1
SCHEMBL4568488 0.85 PARP1 (0.40) RAB9APARP1MRGPRX4IDH1
SCHEMBL4568487 0.85 MRGPRX4 (0.45) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4568098 0.84 MDM4 (0.53) MAPTSMN1; SMN2TP53CYP1A2CYP2C9
SCHEMBL4568480 0.82 MRGPRX4 (0.42) SMN1; SMN2RAB9ANPC1TP53CYP1A2
SCHEMBL4568199 0.82 ALDH1A1 (0.45) MAPTSMN1; SMN2RAB9ANPC1CYP1A2

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 MAPT 3199/4885SMN1; SMN2 4661/4885RAB9A 1646/4885

“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.