SCHEMBL17501675

SCHEMBL17501675

COc1ccc(N)c(C(=O)O)c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC37A4 O43826 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.41
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
TRPC5 Q9UL62 1/20 0.40
IDO1 P14902 1/20 0.40
ECE1 P42892 1/20 0.40

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
SCHEMBL17501659 0.87 TRPC5 (0.42) ALDH1A1GAAMAPTMEN1LMNA
SCHEMBL7001783 0.81 IDO1 (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9063873 0.80 GAA (0.51) ALDH1A1GAAMAPTLMNASLC37A4
SCHEMBL6475571 0.80 IDO1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3275499 0.77 RXRA (0.49) MEN1LMNAKMT2AHPGDMRGPRX4
SCHEMBL6069384 0.76 IDO1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28778944 0.75 MAPT (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL27984159 0.74 ALDH1A1 (0.53) ALDH1A1GAACA12CA1CA2
Alcohol SCHEMBL28228430 0.74 ALDH1A1 (0.48) ALDH1A1HSP90AA1FAAHCNR2TRPC5
SCHEMBL6307911 0.74 FAAH (0.58) ALDH1A1KMT2ASLC37A4CA12CA1

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 ALDH1A1 1768/4885GAA 3816/4885MAPT 2648/4885

“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.