SCHEMBL1145702

SCHEMBL1145702

[CH2]Sc1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTR1A P08908 7/20 0.39
HTR3A P46098 7/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29411684 0.79 NPC1 (0.50) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL76793 0.79 HAO1 (0.55) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL29475022 0.79 HAO1 (0.55) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL576257 0.79 NPC1 (0.50) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL735441 0.77 HSD17B10 (0.44) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL11356414 0.76 SLC6A4 (0.30) SLC6A4
SCHEMBL30679505 0.75 TP53 (0.48) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL11325280 0.75 HAO1 (0.43) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL2023201 0.75 TP53 (0.48) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL11482988 0.75 HAO1 (0.43) HAO1TP53TDP1HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
US-6307101-B1 AMIDES SUBSTITUTED WITH MERCAPTOALCOHOL OR MERCAPTOKETONE GROUPS CAMPBELL DAVID A (US) 2001-10-23 US disclosed
EP-0832100-B1 NOVEL INHIBITORS OF METALLOPROTEASES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AFFYMAX TECH NV (AN) 2000-04-05 EP disclosed
US-5929278-A Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use AFFYMAX TECHNOLOGIES N.V. (GB) 1999-07-27 US disclosed
US-5840698-A ENZYME INHIBITORS OF MERCAPTOKETONES AND MERCAPTOALCOHOLS FOR CONTROLLING DISEASES OF TISSUE BREAKDOWN, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS OR ANTITUMOR AGENTS AFFYMAX TECHNOLOGIES N.V. (GB) 1998-11-24 US disclosed
US-5831004-A Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use AFFYMAX TECHNOLOGIES N.V. (GB) 1998-11-03 US disclosed
EP-0832100-A4 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECH NV (AN) 1998-09-02 EP disclosed
EP-0832100-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1998-04-01 EP disclosed
WO-1996040204-A1 NOVEL INHIBITORS OF COLLAGENASE-1 AND STROMELYSIN-I METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO disclosed
WO-1996040738-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 HAO1 3305/4885TP53 857/4885TDP1 1780/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 HAO1 3264/4885TP53 2501/4885TDP1 598/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 HAO1 3707/4885TP53 2960/4885TDP1 814/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR HAO1 3284/4885TP53 835/4885TDP1 644/4885

“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.