SCHEMBL598456

SCHEMBL598456

Cc1[nH]c2cccc(Br)c2c1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
MAPT P10636 5/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
GPR17 Q13304 1/20 0.55
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AKR1C2 P52895 1/20 0.45
MCL1 Q07820 1/20 0.42
FEN1 P39748 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
EGFR P00533 2/20 0.40
PLA2G2A P14555 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
SCHEMBL2009406 0.83 KDM4E (0.60) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL8298676 0.83 KDM4E (0.47) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL11325544 0.79 KDM4E (0.50) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL7933092 0.79 KDM4E (0.56) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL18029143 0.79 GPR17 (0.46) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL3342092 0.77 CYP1A2 (0.49) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL596865 0.76 CYP3A4 (0.56) KDM4EMAPTALDH1A1GPR17POLB
SCHEMBL3566658 0.74 AKR1C2 (0.53) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL29612371 0.74 KDM4E (1.00) KDM4EMAPTGAAALDH1A1CASP1
SCHEMBL379103 0.74 KDM4E (1.00) KDM4EMAPTGAAALDH1A1CASP1

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
CN-101759628-B Ethynylindole compounds ONO PHARMACEUTICAL CO 2013-02-27 CN disclosed
US-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 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-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 KDM4E 4771/4885MAPT 4109/4885GAA 4840/4885

“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.