SCHEMBL578735

SCHEMBL578735

COCOc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
SLC6A4 P31645 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NSD2 O96028 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL981866 0.85 CYP3A4 (0.39) L3MBTL1CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1823347 0.84 NSD2 (0.44) L3MBTL1AAK1SLC6A4KDM4ENSD2
SCHEMBL29929937 0.84 NSD2 (0.44) L3MBTL1AAK1SLC6A4KDM4ENSD2
SCHEMBL28009643 0.82 TSHR (0.41) L3MBTL1CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL1509935 0.81 HPGD (0.51) L3MBTL1TSHRAAK1SLC6A4GAA
SCHEMBL2370519 0.81 MAPK1 (0.54) L3MBTL1CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL14125147 0.81 PTGDR2 (0.42) L3MBTL1CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2475470 0.81 MEN1 (0.48) L3MBTL1POLBMEN1KMT2A
SCHEMBL8832399 0.81 CYP17A1 (0.45) CYP3A4AAK1SMN1; SMN2MEN1KMT2A
SCHEMBL2178750 0.79 KDM4E (0.45) L3MBTL1CYP3A4CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677621-A Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-03-08 CN disclosed
WO-2023011581-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-02-09 WO disclosed
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
CN-102803223-A Cyclic compound having substituted phenyl group DAIICHI SANKYO CO LTD 2012-11-28 CN disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
US-6197217-B1 EXHIBIT A NEGATIVE DIELECTRIC ANISOTROPY VALUE, HAVE AN EXTREMELY HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, SMALL DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE; EXCELLENT IN MISCIBILITY WITH OTHER LC'S CHISSO CORPORATION (JP) 2001-03-06 US disclosed
CN-1054622-C Polymeric compounds, and liquid srystal element using the same SHARP KK (JP) 2000-07-19 CN disclosed
EP-0959061-A1 3,3'-DIFLUOROBIPHENYL DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1999-11-24 EP disclosed
US-5702642-A ACRYLIC ESTER POLYMERS; BRIGHTNESS IN ABSENCE OF ELECTRIC VOLTAGE SHARP KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5645760-A Polymeric compounds, and liquid crystal element using the same SHARP KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
US-5545747-A STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-08-13 US disclosed
CN-1124271-A Polymeric compounds, and liquid srystal element using the same SHARP KK (JP) 1996-06-12 CN disclosed
EP-0496896-A1 CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 1992-08-05 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 (2 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 L3MBTL1 2889/4885CYP3A4 4835/4885CYP2D6 4684/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 L3MBTL1 3310/4885CYP3A4 168/4885CYP2D6 84/4885

“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.