SCHEMBL607430

SCHEMBL607430

CC(=O)OC(Br)(Br)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
KCNN4 O15554 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
CES1 P23141 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NAPRT Q6XQN6 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL16714035 0.83 CYP2C19 (0.45) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL42458 0.83 ALDH1A1 (0.56) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL28769396 0.82 KCNN4 (0.43) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL1153548 0.80 ELANE (0.44) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL1096837 0.80 KCNN4 (0.47) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL11379208 0.80 CYP2C19 (0.52) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL5666953 0.80 KCNN4 (0.47) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
Phosphine SCHEMBL10642479 0.78 KCNN4 (0.45) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL20972999 0.78 KCNN4 (0.45) CYP2C19KCNN4HIF1ACYP1A2CYP2D6
SCHEMBL14878271 0.78 KCNN4 (0.45) CYP2C19KCNN4HIF1ACYP1A2CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302911-A Preparation method of m-hydroxybenzaldehyde 潍坊润谱化学有限公司 2020-06-19 CN disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 US disclosed
EP-2470020-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME The Regents of the University of Michigan (US) 2012-07-04 EP disclosed
US-8188072-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-29 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 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 (5 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CYP2C19 296/4885KCNN4 1836/4885HIF1A 1767/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B CYP2C19 102/4885KCNN4 1081/4885HIF1A 1210/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CYP2C19 296/4885KCNN4 1836/4885HIF1A 1767/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CYP2C19 296/4885KCNN4 1836/4885HIF1A 1767/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC CYP2C19 171/4885KCNN4 1415/4885HIF1A 1679/4885

“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.