SCHEMBL4573113

SCHEMBL4573113

CC(=O)/C=C/c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.69
NFKB1 P19838 1/20 0.69
TDP1 Q9NUW8 2/20 0.63
GLA P06280 1/20 0.63
IAPP P10997 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP1A1 P04798 4/20 0.49
CYP1B1 Q16678 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 3/20 0.49
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL4573115 1.00 JUN (0.69) JUNNFKB1TDP1GLAIAPP
SCHEMBL1359335 0.84 GLA (0.77) TDP1GLAIAPPPTGS1CYP1A2
SCHEMBL1359336 0.84 GLA (0.77) TDP1GLAIAPPPTGS1CYP1A2
SCHEMBL5598762 0.82 JUN (1.00) JUNNFKB1TDP1CYP1A1CYP1B1
SCHEMBL5598760 0.82 JUN (1.00) JUNNFKB1TDP1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL11970821 0.80 JUN (0.95) JUNNFKB1TDP1CYP1A1CYP1B1
SCHEMBL5717836 0.80 NFKB1 (0.72) JUNNFKB1TDP1GLACYP1A1
Hydrochloric Acid SCHEMBL11970816 0.80 JUN (0.95) JUNNFKB1TDP1CYP1A1CYP1B1
SCHEMBL333511 0.80 NFKB1 (0.72) JUNNFKB1TDP1GLACYP1A1
SCHEMBL333510 0.80 NFKB1 (0.72) JUNNFKB1TDP1GLACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214151-A Method for the preparation of α, β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1993-05-25 US claimed
US-11807619-B2 Para acyl substituted diazacyclohexene derivatives Renovel Innovations, Inc. 2023-11-07 US disclosed
US-11807619-B2 Para acyl substituted diazacyclohexene derivatives Renovel Innovations, Inc. 2023-11-07 US disclosed
WO-2023004280-A1 SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-01-26 WO disclosed
US-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 US disclosed
WO-2021058018-A1 INHIBITORS OF KRAS G12C BEIGENE, LTD. (KY) 2021-04-01 WO disclosed
WO-2012150829-A2 NOBLE TRIAZOLOPYRIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 제일약품주식회사 (KR) 2012-11-08 WO disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
EP-0095152-B1 A PROCESS FOR PREPARING NICOTINONITRILES AND INTERMEDIATES USED THEREIN STERLING DRUG INC. (US) 1986-10-22 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 (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-11807619-B2 Para acyl substituted diazacyclohexene derivatives AADAC, TBXA2R, DPP8 JUN 3092/4885NFKB1 3032/4885TDP1 3258/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C JUN 1024/4885NFKB1 1049/4885TDP1 2966/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C JUN 1208/4885NFKB1 1371/4885TDP1 4088/4885
US-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS JUN 1117/4885NFKB1 2214/4885TDP1 3383/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 JUN 4218/4885NFKB1 3510/4885TDP1 4765/4885

“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.