SCHEMBL890773

SCHEMBL890773

CCc1cc(=O)c2cc(F)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.69
KEAP1 Q14145 1/20 0.63
NFE2L2 Q16236 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.54
DRD4 P21917 7/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
PDE10A Q9Y233 1/20 0.49
MPO P05164 1/20 0.49
CYP19A1 P11511 1/20 0.48
FEN1 P39748 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL20382321 0.81 ALDH1A1 (0.64) GHSRSMN1; SMN2DRD4ALDH1A1HPGD
SCHEMBL20382322 0.80 GAA (0.63) GHSRALDH1A1HPGDKDM4ELMNA
SCHEMBL9178642 0.80 KDM4E (0.63) GHSRKDM4EMEN1KMT2A
SCHEMBL9178886 0.78 ALDH1A1 (0.54) GHSRKEAP1NFE2L2ALDH1A1HPGD
SCHEMBL9180099 0.78 KIF11 (0.49) GHSRKEAP1NFE2L2DRD4ALDH1A1
SCHEMBL9183301 0.78 GHSR (0.71) GHSRSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL9175460 0.78 AR (0.48) GHSRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4764681 0.77 CTSV (0.67) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL4129339 0.77 KEAP1 (1.00) GHSRKEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL20382320 0.76 KDM4E (0.51) GHSRALDH1A1HPGDKDM4ETP53

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201583-A1 QUINOLINONE OR QUINAZOLINONE COMPRISING ANTIBIOFILM COMPOSITIONS, COMPOUNDS AND METHODS AND USES RELATING THERETO UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND (IE) 2018-07-19 US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
EP-2445900-B1 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES AMGEN INC (US) 2016-03-02 EP disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445900-A2 POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151740-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 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 (3 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 GHSR 3542/4885KEAP1 2702/4885NFE2L2 1490/4885
US-20180201583-A1 QUINOLINONE OR QUINAZOLINONE COMPRISING ANTIBIOFILM COMPOSITIONS, COMPOUNDS AND METHODS AND USES RELATING THERETO QSOX1, LPO, NQO2 GHSR 4081/4885KEAP1 554/4885NFE2L2 1067/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 GHSR 3560/4885KEAP1 2667/4885NFE2L2 1463/4885

“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.