SCHEMBL398946

SCHEMBL398946

COc1ccccc1Cc1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE5A O76074 1/20 0.48
KDM4E B2RXH2 4/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHEK2 O96017 1/20 0.46
USP2 O75604 1/20 0.46
PLA2G2A P14555 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL405782 0.92 POLB (0.59) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL404827 0.83 PDE5A (0.58) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL405904 0.83 KDM4E (0.58) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL403762 0.83 ALDH1A1 (0.55) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL403588 0.82 PDE5A (0.53) POLBALDH1A1MAPK1PDE5AKDM4E
SCHEMBL403263 0.82 POLB (0.57) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL405256 0.81 KDM4E (0.56) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL405533 0.81 PDE5A (0.65) POLBPDE5AKDM4ERECQLTDP1
SCHEMBL400774 0.80 PDE5A (0.62) POLBALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL17888985 0.80 POLB (0.52) POLBALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP disclosed
CN-101501007-B Quinazoline derivative ASKA PARMACEUTICAL CO LTD 2014-01-29 CN disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN disclosed
CN-101501007-A Quinazoline derivative ASKA PARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 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 (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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD POLB 555/4885ALDH1A1 762/4885MAPK1 3757/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A POLB 1464/4885ALDH1A1 235/4885MAPK1 1648/4885

“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.