SCHEMBL1887807

SCHEMBL1887807

CC(Br)C(=O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PTGS2 P35354 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 2/20 0.41

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
Bromide SCHEMBL4188500 0.98 CYP1A2 (0.50) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL19104772 0.83 CYP1A2 (0.49) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL888683 0.82 CYP1A2 (0.55) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL5353045 0.82 GSK3B (0.56) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL7428115 0.79 NAPRT (0.45) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL7302432 0.78 CYP1A2 (0.51) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL7933884 0.78 NAPRT (0.48) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL12337833 0.78 CYP1A2 (0.51) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL27480368 0.78 CYP1A2 (0.51) CYP1A2CYP3A4MAOAMAOBPTGS2
SCHEMBL19695429 0.77 TDP1 (0.52) CYP1A2CYP3A4NAPRTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
CN-106946775-B Compound and application thereof in preparation of anti-hepatitis C virus medicine 清华大学 2020-04-10 CN disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
EP-0085227-B1 THIADIAZINE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP disclosed
US-4788194-A CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-29 US disclosed
US-4716164-A CARDIOTONIC, HYPOTENSIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-29 US disclosed
US-4558045-A CARDIOTONIC AND HYPOTENSIVE ACTIVITY IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-12-10 US disclosed
US-4489073-A HYPOTENSIVE AND CARDIOTONIC AGENTS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1984-12-18 US disclosed
EP-0085227-A1 Thiadiazine derivatives, and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-10 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 (6 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-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 CYP1A2 185/4885CYP3A4 516/4885MAOA 778/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 CYP1A2 322/4885CYP3A4 289/4885MAOA 2898/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 CYP1A2 314/4885CYP3A4 282/4885MAOA 2896/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 CYP1A2 416/4885CYP3A4 375/4885MAOA 2696/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 CYP1A2 416/4885CYP3A4 375/4885MAOA 2696/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP CYP1A2 3932/4885CYP3A4 4195/4885MAOA 2820/4885

“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.