SCHEMBL16416613

SCHEMBL16416613

Nc1ccc(F)c(Br)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 3/20 0.35
GFER P55789 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL26694043 0.84 DGAT1 (0.40) KEAP1KDM4EGLAHDAC1HDAC6
SCHEMBL17007116 0.83 CES2 (0.41) KDM4ETDP1CES2CES1DGAT1
SCHEMBL27575206 0.83 KDM4E (0.47) KEAP1KDM4EGLAKMT2AGFER
SCHEMBL21750024 0.81 KEAP1 (0.45) KEAP1KDM4EGLAHDAC1HDAC6
SCHEMBL7823717 0.79 KDM4E (0.44) KEAP1KDM4EGLAKMT2AGFER
SCHEMBL2203971 0.79 KEAP1 (0.44) KEAP1KDM4EGLAHDAC1HDAC6
SCHEMBL8178102 0.78 ALDH1A1 (0.41) KDM4EGLAHDAC1HDAC6KMT2A
SCHEMBL24717969 0.78 CYP1A2 (0.41) KEAP1KDM4EGLAALDH1A1CES2
SCHEMBL25679318 0.78 CA1 (0.46) KDM4EKMT2APOLBMEN1MAPT
SCHEMBL24753003 0.78 KDM4E (0.42) KEAP1KDM4EGLAKMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
CN-114685395-A 2, 3-dihydrobenzo [ d ] isothiazole compound and application thereof 浙江大学 2022-07-01 CN disclosed
EP-3024827-B1 SUBSTITUTED QUINAZOLIN-4-ONE DERIVATIVES NOVARTIS AG (CH) 2020-04-15 EP disclosed
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
US-9840498-B2 Substituted quinazolin-4-one derivatives NOVARTIS AG (CH) 2017-12-12 US disclosed
US-9840498-B2 Substituted quinazolin-4-one derivatives NOVARTIS AG (CH) 2017-12-12 US disclosed
US-9840498-B2 Substituted quinazolin-4-one derivatives NOVARTIS AG (CH) 2017-12-12 US disclosed
US-20160168131-A1 Substituted Quinazolin-4-one Derivatives NOVARTIS AG (CH) 2016-06-16 US disclosed
US-20160168131-A1 Substituted Quinazolin-4-one Derivatives NOVARTIS AG (CH) 2016-06-16 US disclosed
US-20160168131-A1 Substituted Quinazolin-4-one Derivatives NOVARTIS AG (CH) 2016-06-16 US disclosed
EP-3024827-A1 SUBSTITUTED QUINAZOLIN-4-ONE DERIVATIVES Novartis AG (CH) 2016-06-01 EP disclosed
CN-105452235-A Substituted quinazolin-4-one derivatives NOVARTIS AG 2016-03-30 CN disclosed
WO-2015010641-A1 SUBSTITUTED QUINAZOLIN-4-ONE DERIVATIVES NOVARTIS AG (CH) 2015-01-29 WO disclosed
WO-2015010641-A1 SUBSTITUTED QUINAZOLIN-4-ONE DERIVATIVES NOVARTIS AG (CH) 2015-01-29 WO 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-20160168131-A1 Substituted Quinazolin-4-one Derivatives PIK3CA, AKT3, PIK3CD KEAP1 1989/4885KDM4E 2808/4885GLA 2564/4885

“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.