SCHEMBL17501658

SCHEMBL17501658

COc1cccc2c1C(c1ccc(Cl)cc1)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.43
PGR P06401 4/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AR P10275 2/20 0.38
RAB9A P51151 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17501668 0.87 NR3C1 (0.42) NR3C1PGRHCRTR1HCRTR2ALDH1A1
SCHEMBL5573073 0.80 ALDH1A1 (0.43) NR3C1PGRALDH1A1MEN1KMT2A
SCHEMBL17501681 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARAB9ACDK1
SCHEMBL11394821 0.72 NQO1 (0.43) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL87129 0.72 ACHE (0.43) NR3C1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3901331 0.72 AR (0.44) NR3C1ALDH1A1MEN1KMT2AAR
SCHEMBL16950233 0.72 ALDH1A1 (0.44) NR3C1PGRALDH1A1MEN1KMT2A
SCHEMBL675985 0.72 KDM4E (0.62) ALDH1A1MEN1KMT2AARLMNA
SCHEMBL20552496 0.72 AR (0.44) NR3C1ALDH1A1MEN1KMT2AAR
SCHEMBL17068358 0.71 ALDH1A1 (0.46) NR3C1PGRALDH1A1MEN1KMT2A

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 11 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
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
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
US-20160039772-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 US 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 NR3C1 339/4885PGR 1408/4885HCRTR1 144/4885

“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.