SCHEMBL256589

SCHEMBL256589

CC(C)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
CYP3A4 P08684 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KIF11 P52732 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GRIA4 P48058 1/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 2/20 0.43

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
SCHEMBL25014555 0.93 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TDP1NPC1
SCHEMBL5955 0.91 MAPT (0.53) ALDH1A1TP53CYP3A4TDP1NPC1
Hydrochloric Acid SCHEMBL4372842 0.88 MEN1 (0.50) ALDH1A1TP53CYP3A4TDP1NPC1
Ammonia Solution, Strong SCHEMBL28370828 0.88 MAPT (0.50) ALDH1A1TP53CYP3A4TDP1NPC1
Water SCHEMBL4672027 0.88 MAPT (0.50) ALDH1A1TP53CYP3A4TDP1NPC1
Hydrochloric Acid SCHEMBL1586648 0.88 MEN1 (0.50) ALDH1A1TP53CYP3A4TDP1NPC1
SCHEMBL197335 0.88 KIF11 (0.52) TP53NPC1RAB9AKDM4EKIF11
Benzidine SCHEMBL28946931 0.87 TAAR1 (0.64) ALDH1A1TP53CYP3A4TDP1NPC1
SCHEMBL8675147 0.87 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TDP1NPC1
SCHEMBL6659986 0.86 ALDH1A1 (0.58) ALDH1A1TP53CYP3A4TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177498-A2 HEXAVALENT SUBSTITUTED BENZENES NORTHEASTERN UNIVERSITY (US) 2023-09-21 WO disclosed
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
WO-2021242849-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME THE ROCKEFELLER UNIVERSITY (US) 2021-12-02 WO disclosed
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME THE ROCKEFELLER UNIVERSITY 2021-01-28 US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-9999905-B2 Polymeric coatings and coating method INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-19 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
WO-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
US-20170198165-A1 POLYMERIC COATINGS AND COATING METHOD INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-07-13 US disclosed
WO-2012028825-A1 ULTRA-THIN FILMS OF MOLECULARLY IMPRINTED POLYMERS CONFINED TO THE SURFACE OF A SUBSTRATE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-03-08 WO disclosed
WO-2012002569-A1 METHOD FOR FORMING MULTILAYER COATING FILM KANSAI PAINT CO., LTD. (JP) 2012-01-05 WO disclosed
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 EP disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
EP-1694281-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-30 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
US-6107438-A AMIDATION A POLYESTER WITH A DIAMINE IN REACTION MIXTURE CONTAINING AN APROTIC PROTOPHOBIC POLAR SOLVENT TO FORM HEAT RESISTANT POLYAMIDEESTER COPOLYMER M & S RESEARCH AND DEVELOPMENT CO., LTD. (JP) 2000-08-22 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 (6 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A ALDH1A1 1524/4885TP53 1153/4885CYP3A4 2663/4885
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 ALDH1A1 3433/4885TP53 1997/4885CYP3A4 4357/4885
US-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885TP53 40/4885CYP3A4 4658/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF ALDH1A1 314/4885TP53 78/4885CYP3A4 3447/4885
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME CLPP, MPO, SPOUT1 ALDH1A1 3433/4885TP53 1997/4885CYP3A4 4357/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF ALDH1A1 314/4885TP53 78/4885CYP3A4 3447/4885

“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.