SCHEMBL404601

SCHEMBL404601

COC(=O)c1ccc2c(=O)[nH]c(Cc3ccc(OC)c(OC)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PDE5A O76074 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RECQL P46063 1/20 0.46
▸ RNASEH1 O60930 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL403796 0.90 PDE5A (0.64) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL402452 0.85 PDE5A (0.57) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL13368151 0.84 POLB (0.57) KDM4EALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL399659 0.84 PDE5A (0.59) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL401317 0.83 PDE5A (0.62) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL403762 0.83 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL403588 0.83 PDE5A (0.53) KDM4EALDH1A1SMN1; SMN2PDE5APOLB
SCHEMBL17888980 0.82 POLB (0.50) KDM4EALDH1A1SMN1; SMN2PDE5APOLB
SCHEMBL37938 0.82 PDE5A (0.77) KDM4EALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL405344 0.81 PDE5A (0.63) KDM4EALDH1A1SMN1; SMN2HTTRAB9A

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 7 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
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 4291/4885ALDH1A1 762/4885SMN1; SMN2 3450/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KDM4E 2869/4885ALDH1A1 235/4885SMN1; SMN2 3905/4885

“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.

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