SCHEMBL405899

SCHEMBL405899

COc1ccc(CCCc2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
PDE5A O76074 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL405463 0.94 KDM4E (0.58) KDM4ERECQLALDH1A1MAPK1HPGD
SCHEMBL403796 0.89 PDE5A (0.64) KDM4ERECQLALDH1A1MAPK1HPGD
SCHEMBL404509 0.85 PDE5A (0.57) KDM4ERECQLALDH1A1MAPK1PDE5A
SCHEMBL405256 0.84 KDM4E (0.56) KDM4ERECQLALDH1A1MAPK1TP53
SCHEMBL404924 0.82 KDM4E (0.65) KDM4ERECQLALDH1A1PDE5AUSP2
SCHEMBL401317 0.81 PDE5A (0.62) KDM4ERECQLALDH1A1MAPK1HPGD
SCHEMBL403588 0.81 PDE5A (0.53) KDM4ERECQLALDH1A1MAPK1HPGD
SCHEMBL405344 0.80 PDE5A (0.63) KDM4ERECQLALDH1A1MAPK1PDE5A
SCHEMBL403178 0.79 PDE5A (0.78) KDM4ERECQLALDH1A1PDE5AKMT2A
SCHEMBL405904 0.79 KDM4E (0.58) KDM4ERECQLALDH1A1MAPK1HPGD

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 6 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
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
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 KDM4E 4291/4885RECQL 878/4885ALDH1A1 762/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885RECQL 100/4885ALDH1A1 235/4885

“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.