SCHEMBL266461

SCHEMBL266461

Cc1cc(=O)c2cc(F)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 9/20 0.60
GABRD O14764 9/20 0.60
GABRA1 P14867 9/20 0.60
GABRB1 P18505 9/20 0.60
GABRG2 P18507 9/20 0.60
GABRB3 P28472 9/20 0.60
GABRA5 P31644 9/20 0.60
GABRA3 P34903 9/20 0.60
GABRA2 P47869 9/20 0.60
GABRB2 P47870 9/20 0.60
GABRA4 P48169 9/20 0.60
GABRE P78334 9/20 0.60
GABRA6 Q16445 9/20 0.60
GABRG1 Q8N1C3 9/20 0.60
GABRG3 Q99928 9/20 0.60
GABRQ Q9UN88 9/20 0.60
ACHE P22303 1/20 0.58
TNKS O95271 1/20 0.57
NQO1 P15559 1/20 0.49
MAOB P27338 1/20 0.46

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
SCHEMBL31217580 0.85 MAOB (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL266614 0.81 MAPT (0.63) ACHENQO1KDM4ETP53MAPT
SCHEMBL27821368 0.78 ADCY1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22950970 0.78 CSNK2A2 (0.62) ACHEMAOBCYP1A2KDM4ELMNA
SCHEMBL13978681 0.78 TP53 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17786615 0.78 EGFR (0.60) ACHECYP1A2KDM4ELMNATP53
SCHEMBL21591565 0.77 ACHE (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9976084 0.75 ACHE (0.68) ACHENQO1MAOBKDM4ELMNA
SCHEMBL8193938 0.75 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9431755 0.75 STS (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
EP-2102196-B1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM SPA (IT) 2012-08-01 EP disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-8003810-B2 Process for preparing Nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-23 US disclosed
US-8003810-B2 Process for preparing Nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-23 US disclosed
US-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-25 US disclosed
US-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-25 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
WO-2008064826-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2008-06-05 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 (5 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-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ADRB1, ADRB2, ADRA1B GABRP 1901/4885GABRD 2234/4885GABRA1 1806/4885
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 GABRP 3256/4885GABRD 2452/4885GABRA1 3040/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 GABRP 1127/4885GABRD 1359/4885GABRA1 762/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 GABRP 1413/4885GABRD 1577/4885GABRA1 680/4885
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders CCNK, CDK3, CCNO GABRP 3949/4885GABRD 3171/4885GABRA1 4042/4885

“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.