SCHEMBL4072963

SCHEMBL4072963

NNC(=O)c1cc(Br)c(O)c(Br)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.42
NSD2 O96028 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 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
SCHEMBL2723623 0.81 ALDH1A1 (0.60) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL10964657 0.78 ERN1 (0.43) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL4891804 0.75 AKR1C3 (0.63) ALDH1A1KDM4EPTPN1AKR1C4AKR1C3
SCHEMBL29593387 0.75 AKR1C3 (0.63) ALDH1A1KDM4EPTPN1AKR1C4AKR1C3
SCHEMBL9169776 0.75 CA1 (0.45) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL3238108 0.74 GSK3B (0.41) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL3243859 0.74 ALDH1A1 (0.63) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL28056380 0.73 HSP90AB1 (0.43) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL23067380 0.72 SNCA (0.56) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL7244895 0.71 PLAU (0.73) ALDH1A1MAPTLMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11035852-B2 Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells UMC UTRECHT HOLDING, B.V. (NL) 2021-06-15 US disclosed
US-10159678-B2 Methods to decrease susceptibility to asthmatic bronchoconstriction CORNELL UNIVERSITY (US) 2018-12-25 US disclosed
EP-3045912-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2018-09-19 EP disclosed
US-10006904-B2 Rapid quantitative assay to measure CFTR function in a primary intestinal culture model UMC UTRECHT HOLDING B.V. (NL) 2018-06-26 US disclosed
EP-3045912-A1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC Utrecht Holding B.V. (NL) 2016-07-20 EP disclosed
EP-2795322-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2015-12-09 EP disclosed
US-20150276719-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-10-01 US disclosed
US-20150139915-A1 METHODS TO DECREASE SUSCEPTIBILITY TO ASTHMATIC BRONCHOCONSTRICTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20150011420-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-01-08 US disclosed
WO-2013173595-A1 METHODS TO DECREASE SUSCEPTIBILITY TO ASTHMATIC BRONCHOCONSTRICTION WORGALL STEFAN (US) 2013-11-21 WO disclosed
WO-2009105234-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH DEFECTS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR GENE OR PROTEIN COMBINATORX, INCORPORATED (US) 2009-08-27 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-20150139915-A1 METHODS TO DECREASE SUSCEPTIBILITY TO ASTHMATIC BRONCHOCONSTRICTION SMPD3, SMPD2, SMPD1 ALDH1A1 1906/4885GFER 1855/4885MAPT 4759/4885
US-10159678-B2 Methods to decrease susceptibility to asthmatic bronchoconstriction SMPD3, SMPD2, SMPD1 ALDH1A1 1906/4885GFER 1855/4885MAPT 4759/4885

“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.