SCHEMBL5078313

SCHEMBL5078313

Nc1ccc(Oc2ccccc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
IDO1 P14902 1/20 0.55
HDAC3 O15379 1/20 0.53
BRAF P15056 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GFER P55789 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
AKR1C3 P42330 1/20 0.53
GCK P35557 1/20 0.52

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
SCHEMBL1554060 0.94 KMT2A (0.59) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL1553285 0.93 KDM4E (0.55) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL712251 0.93 KDM4E (0.61) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL28250577 0.91 HDAC3 (0.55) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL710634 0.89 KMT2A (0.63) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL1027446 0.89 KMT2A (0.61) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL28315270 0.88 PYGL (0.59) POLBIDO1HDAC3BRAFHDAC4
SCHEMBL2661681 0.88 PARP10 (0.58) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL10583194 0.86 BRAF (0.56) POLBHDAC3BRAFHDAC4HDAC1
SCHEMBL2426327 0.86 KEAP1 (0.66) POLBIDO1HDAC3BRAFHDAC4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101681099-B Positive photosensitive resin composition and polyhydroxyamide resin NISSAN CHEMICAL IND LTD 2013-02-20 CN disclosed
CN-101445487-A Preparation method of 3H-quinazoline-4-ketones compounds UNIV SHANGHAI (CN) 2009-06-03 CN disclosed
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 US disclosed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO disclosed
US-20040048188-A1 Positive photosensitive polyimide resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-11 US disclosed
EP-0183651-B1 METAL COMPLEXES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-05-23 EP disclosed
US-4847365-A POLYAMIDES, POLYESTERS, OLEFIN POLYMERS CIBA-GEIGY CORPORATION (US) 1989-07-11 US disclosed
EP-0183651-A2 Metal complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1986-06-04 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 (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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 POLB 1435/4885IDO1 1753/4885HDAC3 3/4885

“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.