SCHEMBL213472

SCHEMBL213472

O=C(O)c1[nH]c2ccc(F)cc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.51
KDM4E B2RXH2 5/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CLK1 P49759 1/20 0.46
KMT2A Q03164 1/20 0.46
CFD P00746 1/20 0.46
PDPK1 O15530 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FEN1 P39748 1/20 0.44
DAO P14920 1/20 0.43
BCKDK O14874 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL27784165 0.87 GPR17 (0.47) KDM4EALDH1A1KMT2APDPK1LMNA
SCHEMBL6921821 0.83 MAP2 (0.65) MAP2KDM4EALDH1A1KMT2ALMNA
SCHEMBL27531557 0.81 MAP2 (0.52) MAP2KDM4EMAPTALDH1A1CLK1
SCHEMBL2730323 0.81 ALDH1A1 (0.59) MAP2KDM4EMAPTALDH1A1CLK1
SCHEMBL3011277 0.80 RXFP1 (0.61) MAP2KDM4EMAPTALDH1A1CLK1
SCHEMBL3426959 0.80 MAP2 (0.51) MAP2KDM4EMAPTALDH1A1CLK1
SCHEMBL4334560 0.80 MAP2 (0.55) MAP2KDM4EMAPTALDH1A1CLK1
SCHEMBL15185062 0.80 ALDH1A1 (0.61) MAP2KDM4EMAPTALDH1A1KMT2A
SCHEMBL17677402 0.80 DAO (0.50) KDM4EALDH1A1PDPK1LMNAHPGD
SCHEMBL2730585 0.78 MAPT (0.53) MAP2KDM4EMAPTALDH1A1KMT2A

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP disclosed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 WO disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 WO disclosed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP 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 (3 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-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 MAP2 1416/4885KDM4E 3663/4885MAPT 2040/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 MAP2 1046/4885KDM4E 2603/4885MAPT 3734/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 MAP2 704/4885KDM4E 1359/4885MAPT 2340/4885

“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.