SCHEMBL472482

SCHEMBL472482

C=CCc1ccc(Br)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
XDH P47989 2/20 0.42
SRD5A1 P18405 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH2 P05091 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 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
SCHEMBL547469 0.84 GABRA1 (0.66) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL8665741 0.81 LMNA (0.41) GABRA1GABRB2MAPTKMT2AGAA
Formaldehyde SCHEMBL28004393 0.81 GABRA1 (0.61) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL1897113 0.80 ERN1 (0.47) ALOX12ALDH1A1HPGDALOX15ERN1
SCHEMBL5451047 0.80 LMNA (0.43) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL11223610 0.79 LMNA (0.40) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL69697 0.79 TYR (0.58) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL1006107 0.78 XDH (0.70) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL8259600 0.78 GABRA1 (0.52) GABRA1GABRB2MAPTKMT2AGAA
SCHEMBL4573203 0.77 ALOX15 (0.38) MAPTKMT2AGAALMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
EP-3283484-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-21 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
EP-2885285-B1 PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-10-19 EP disclosed
WO-2016156872-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 WO disclosed
WO-2016156872-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 WO disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed
EP-0560554-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-09-15 EP disclosed
US-5169860-A Benzofuran or benzothiophene arylsulfonylureas ELI LILLY AND COMPANY (US) 1992-12-08 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 (4 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P GABRA1 4521/4885GABRB2 4220/4885MAPT 2433/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P GABRA1 4521/4885GABRB2 4220/4885MAPT 2433/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A GABRA1 123/4885GABRB2 184/4885MAPT 2152/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A GABRA1 243/4885GABRB2 279/4885MAPT 2170/4885

“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.