SCHEMBL17501680

SCHEMBL17501680

COc1ccc2[nH]c(=O)n(CCCOCc3ccccc3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
MAPK10 P53779 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
ADRA1B P35368 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MPO P05164 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL17517370 0.86 MAPT (0.50) HSD17B10MAPK10MAPK1TSHRLMNA
SCHEMBL17522756 0.81 MAPT (0.53) HSD17B10MAPK10MAPK1TSHRLMNA
SCHEMBL17501693 0.80 GRM2 (0.48) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL30159251 0.75 MAOB (0.55) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL25335252 0.73 MPO (0.63) HSD17B10MAPK10MAPK1LMNAKDM4E
SCHEMBL7649974 0.73 MAPK10 (0.55) HSD17B10MAPK10MAPK1TSHRLMNA
SCHEMBL25333362 0.73 ALDH1A1 (0.64) HSD17B10MAPK10MAPK1KDM4EALDH1A1
SCHEMBL9923022 0.71 ALDH1A1 (0.58) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL10637877 0.71 ADRA2A (0.81) HSD17B10ADRA1BKDM4EALDH1A1MEN1
SCHEMBL25810868 0.70 MPO (0.64) HSD17B10MAPK1KDM4EALDH1A1HPGD

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-3180318-B1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS HYDRA BIOSCIENCES INC (US) 2019-02-20 EP disclosed
EP-3180318-B1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS HYDRA BIOSCIENCES INC (US) 2019-02-20 EP disclosed
US-9745272-B2 Quinazoline-2,4(1 H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-9745272-B2 Quinazoline-2,4(1 H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
EP-3180318-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS Hydra Biosciences, Inc. (US) 2017-06-21 EP disclosed
WO-2016023826-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed
US-20160039772-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 US 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-20160039772-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES TRPC5, HTR5A, TRPV5 HSD17B10 3191/4885MAPK10 3091/4885MAPK1 1667/4885

“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.