SCHEMBL17501696

SCHEMBL17501696

COc1ccc2c(c1Cc1ccccc1)c(=O)n(CCCCO)c(=O)n2C

nearest known ligand 0.94

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 14/20 0.94
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17517368 0.97 TRPC5 (1.00) TRPC5
SCHEMBL17522767 0.87 TRPC5 (0.83) TRPC5
SCHEMBL20752041 0.86 TRPC5 (0.81) TRPC5KDM4EHPGDHTTLMNA
SCHEMBL17501674 0.86 TRPC5 (1.00) TRPC5
SCHEMBL17501688 0.86 TRPC5 (0.70) TRPC5KDM4EHPGDHTTLMNA
SCHEMBL17501697 0.85 TRPC5 (0.80) TRPC5
SCHEMBL17522771 0.85 TRPC5 (0.78) TRPC5KDM4EHPGD
SCHEMBL17517380 0.82 TRPC5 (0.74) TRPC5KDM4EHPGDHTTLMNA
SCHEMBL17501670 0.82 TRPC5 (0.74) TRPC5
SCHEMBL17522768 0.81 TRPC5 (0.78) TRPC5SMN1; SMN2

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 5 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
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 TRPC5 1/4885KDM4E 4079/4885HPGD 1106/4885

“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.