SCHEMBL4568113

SCHEMBL4568113

COC(=O)c1ccc(Cc2c(C(C)(C)C)[nH]c3cc(Cl)ccc23)o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.44
TSHR P16473 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR4A2 P43354 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4568121 0.88 HTT (0.51) ALDH1A1SMN1; SMN2HTTTSHRRAB9A
SCHEMBL4568152 0.88 GPR17 (0.44) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL4568112 0.82 TUBB4A (0.57) ALDH1A1SMN1; SMN2HTTMCL1L3MBTL1
SCHEMBL4568110 0.79 RAB9A (0.49) MCL1RAB9ANPC1NR4A2
SCHEMBL4568128 0.77 HTT (0.48) ALDH1A1SMN1; SMN2HTTTSHRRAB9A
SCHEMBL4568170 0.76 EGFR (0.41) ALDH1A1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL4568117 0.75 MRGPRX4 (0.49) RAB9ANR4A2
SCHEMBL10314447 0.73 EGFR (0.37) ALDH1A1HTTRAB9ALMNATP53
SCHEMBL4568109 0.71 MDM4 (0.56) ALDH1A1SMN1; SMN2HTTTSHRRAB9A
SCHEMBL4568147 0.70 ENPP2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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 ALDH1A1 422/4885SMN1; SMN2 4661/4885HTT 2322/4885

“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.