SCHEMBL381186

SCHEMBL381186

Cc1cc(C#N)cc(C)c1CBr

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EGLN2 Q96KS0 1/20 0.32
GSK3B P49841 2/20 0.32
VCAM1 P19320 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL24129433 0.88 TTR (0.45) TTRALBMEN1KMT2ACYP2A6
SCHEMBL18977695 0.86 AR (0.37) TTRALBMEN1KMT2ACYP2A6
SCHEMBL2154006 0.81 TTR (0.39) TTRALBMEN1KMT2ACYP2A6
SCHEMBL2154905 0.81 TTR (0.39) TTRALBMEN1KMT2ACYP2A6
SCHEMBL21938397 0.79 CYP2A6 (0.43) TTRALBMEN1KMT2ACYP2A6
SCHEMBL20840177 0.77 LOXL2 (0.41) TTRALBMEN1KMT2ACYP2A6
SCHEMBL18300739 0.77 TTR (0.41) TTRALBMEN1KMT2ACYP2A6
Hydrochloric Acid SCHEMBL15873813 0.76 LOXL2 (0.40) TTRALBMEN1KMT2ACYP2A6
SCHEMBL6589469 0.75 RXRA (0.40) TTRALBMEN1KMT2AALDH1A1
SCHEMBL26630683 0.74 TTR (0.54) TTRALBMEN1KMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US disclosed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP disclosed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed
WO-2022047230-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. (US) 2022-03-03 WO disclosed
CN-102643213-B Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2014-04-09 CN disclosed
CN-102643213-B Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2014-04-09 CN disclosed
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
CN-102643213-A Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-08-22 CN disclosed
CN-102643213-A Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-08-22 CN disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 TTR 4878/4885ALB 4350/4885MEN1 1905/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A TTR 4552/4885ALB 4705/4885MEN1 3933/4885

“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.