SCHEMBL1075595

SCHEMBL1075595

Cc1c(Br)c2ccccc2n1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
P2RX4 Q99571 1/20 0.42
PLA2G2A P14555 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCB1 P08183 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL31668450 0.81 ALDH1A1 (0.54) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL27504693 0.81 ALDH1A1 (0.54) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL18157744 0.81 GABRP (0.45) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL16009974 0.79 POLB (0.48) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL28208533 0.79 POLB (0.48) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL23089102 0.78 POLB (0.44) POLBALDH1A1KDM4EMAPTKMT2A
SCHEMBL29374715 0.78 CHRM2 (0.48) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL716282 0.78 CHRM2 (0.48) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL1757919 0.77 AKR1C3 (0.44) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1180653 0.76 POLB (0.64) POLBALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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 (1 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 POLB 4542/4885ALDH1A1 1069/4885KDM4E 4693/4885

“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.