SCHEMBL1330306

SCHEMBL1330306

N#Cc1cc(Br)ccc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.50
CYP11B1 P15538 5/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
XDH P47989 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CYP17A1 P05093 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2A6 P11509 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL999976 0.82 CYP11B1 (0.42) CYP11B2CYP11B1KDM4ETDP1ALDH1A1
SCHEMBL21044401 0.81 AXL (0.51) CYP11B2CYP11B1KDM4ETDP1XDH
SCHEMBL30169926 0.80 MAPK1 (0.45) KDM4EXDHALDH1A1LMNAHPGD
SCHEMBL21643668 0.80 MAPK1 (0.45) KDM4EXDHALDH1A1LMNAHPGD
SCHEMBL28300994 0.80 CYP11B1 (0.59) CYP11B2CYP11B1KDM4ETDP1ALDH1A1
SCHEMBL1329964 0.79 XDH (0.47) CYP11B2CYP11B1KDM4EXDHALDH1A1
SCHEMBL14856915 0.78 ESR2 (0.55) CYP11B2CYP11B1KDM4ETDP1ALDH1A1
SCHEMBL31038737 0.78 CYP2A6 (0.58) CYP11B2CYP11B1KDM4EXDHALDH1A1
SCHEMBL31264147 0.78 ESR2 (0.55) CYP11B2CYP11B1KDM4ETDP1ALDH1A1
SCHEMBL3237467 0.78 CYP2A6 (0.58) CYP11B2CYP11B1KDM4EXDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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 (3 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN CYP11B2 1664/4885CYP11B1 1620/4885KDM4E 4662/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA CYP11B2 213/4885CYP11B1 187/4885KDM4E 3271/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN CYP11B2 1664/4885CYP11B1 1620/4885KDM4E 4662/4885

“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.