SCHEMBL3701212

SCHEMBL3701212

CCOC(=O)c1cccc(C(O)c2c(-c3cccnc3)[nH]c3cc(Cl)ccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ALOX15 P16050 9/20 0.43
ALOX5 P09917 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
PTGES O14684 1/20 0.40
MDM2 Q00987 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3705305 0.84 TUBB4A (0.42) MMP2MMP13MMP14KDM4EMEN1
SCHEMBL4568324 0.83 NR4A2 (0.41) KDM4EMAPTALDH1A1CYP1A2HPGD
SCHEMBL4568329 0.83 KDM4E (0.41) MMP2MMP13MMP14KDM4EMEN1
SCHEMBL3705695 0.81 MMP2 (0.44) MMP2MMP13MMP14ALOX15ALOX5
SCHEMBL4568331 0.81 NR4A2 (0.39) ALOX15KDM4EMEN1NPC1MAPT
SCHEMBL4568323 0.80 NR4A2 (0.41) MMP2MMP13MMP14KDM4EMAPT
SCHEMBL4568321 0.79 MAPT (0.44) ALOX5KDM4EMEN1NPC1MAPT
SCHEMBL4568325 0.78 MAPT (0.39) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4568344 0.78 NR4A2 (0.38) KDM4EMAPTALDH1A1CYP1A2HPGD
SCHEMBL4568341 0.78 TUBB4A (0.44) KDM4EMAPTALDH1A1CYP1A2HPGD

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 8 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-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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
CN-102498097-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN 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
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 MMP2 3359/4885MMP13 2006/4885MMP14 3217/4885

“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.