SCHEMBL7746178

SCHEMBL7746178

Nc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.66
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
AKR1A1 P14550 2/20 0.44
PRNP P04156 1/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
ABL1 P00519 1/20 0.42
P2RX7 Q99572 1/20 0.42
DGAT1 O75907 1/20 0.41

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
SCHEMBL10487915 0.91 AKR1B1 (0.57) AKR1B1KMT2AALDH1A1AKR1A1MAPT
SCHEMBL10487973 0.88 AKR1B1 (0.57) AKR1B1KMT2AAKR1A1P2RX7DGAT1
SCHEMBL5464898 0.86 AKR1B1 (0.67) AKR1B1KMT2ANPC1ALDH1A1LMNA
SCHEMBL10487901 0.85 AKR1B1 (0.52) AKR1B1KMT2AALDH1A1AKR1A1MAPT
SCHEMBL10487969 0.84 AKR1B1 (0.64) AKR1B1KMT2AALDH1A1AKR1A1MAPT
SCHEMBL10487827 0.83 AKR1B1 (0.50) AKR1B1KMT2AALDH1A1LMNAAKR1A1
SCHEMBL10487825 0.83 AKR1B1 (0.52) AKR1B1KMT2AALDH1A1AKR1A1P2RX7
SCHEMBL10487794 0.81 HPGD (0.62) AKR1B1KMT2ANPC1ALDH1A1LMNA
SCHEMBL17241555 0.81 AKR1B1 (0.62) AKR1B1KMT2AALDH1A1LMNAGAA
SCHEMBL5466266 0.80 AKR1B1 (1.00) AKR1B1KMT2ANPC1ALDH1A1LMNA

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
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
CN-106414430-A Pharmacologically active quinazolinedione derivatives 奥赖恩公司 2017-02-15 CN disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO disclosed
EP-0712849-B1 Process of preparation of substituted quinazolin-2,4-diones CLARIANT GMBH (DE) 2001-01-17 EP disclosed
EP-0712849-A2 Process of preparation of substituted quinazolin-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed
CN-1017242-B NEW QUIANZOLINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION FUJISAWA PHARMACEUTICAL CO (JP) 1992-07-01 CN disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
CN-86106984-A New quinazoline derivant and preparation method thereof 1987-05-20 CN disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 AKR1B1 1525/4885KMT2A 2358/4885NPC1 1329/4885

“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.