SCHEMBL4454407

SCHEMBL4454407

N#Cc1cc(Br)ccc1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD4 P21917 2/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CDC42BPA Q5VT25 2/20 0.41
CDC42BPB Q9Y5S2 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
SCHEMBL16793210 0.98 AR (0.56) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL1331262 0.98 AR (0.56) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL12372518 0.87 AR (0.51) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL28905298 0.86 ROCK2 (0.49) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL31448168 0.86 ROCK2 (0.49) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL5792662 0.86 AR (0.50) ARALDH1A1LMNAL3MBTL1TDP1
SCHEMBL31276622 0.84 MAPK1 (0.55) ARALDH1A1LMNAL3MBTL1DRD4
SCHEMBL426588 0.84 MAPK1 (0.55) ARALDH1A1LMNAL3MBTL1DRD4
SCHEMBL431886 0.84 DRD4 (0.48) ARALDH1A1LMNAL3MBTL1DRD4
SCHEMBL4876309 0.84 AR (0.65) ARALDH1A1LMNAL3MBTL1TDP1

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
CN-110078668-B Phenyl imidazole XOR inhibitor, preparation and application 华南理工大学 2023-03-24 CN disclosed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
US-7612108-B2 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2009-11-03 US disclosed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy ASTELLAS PHARMA INC. (JP) 2008-01-31 US disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP disclosed
EP-1783124-A1 2-PHENYLTHIOPHENE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 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 (4 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA AR 4431/4885ALDH1A1 559/4885LMNA 1904/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN AR 4861/4885ALDH1A1 959/4885LMNA 4517/4885
US-20080027048-A1 Such as 5-(3-cyano-4-n-propoxyphenyl)thiophene-2-carboxylic acid; for diseases associated with xanthine oxidase such as hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy XDH, UACA, NUDT1 AR 4192/4885ALDH1A1 424/4885LMNA 2708/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN AR 4861/4885ALDH1A1 959/4885LMNA 4517/4885

“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.