SCHEMBL2903650

SCHEMBL2903650

CC(=O)OCc1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
PKM P14618 1/20 0.40
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
TACR1 P25103 1/20 0.38
SLC6A4 P31645 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
SCHEMBL20954377 0.84 CYP1A2 (0.41) L3MBTL1HTTMAPTSMN1; SMN2POLB
SCHEMBL3645146 0.83 L3MBTL1 (0.42) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL10682408 0.83 TACR1 (0.38) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL28687511 0.83 KDM4E (0.49) L3MBTL1HTTMAPTSMN1; SMN2POLB
SCHEMBL2167806 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL22364183 0.82 KDM4E (0.41) L3MBTL1HTTMAPTSMN1; SMN2POLB
SCHEMBL3705785 0.82 CYP1A2 (0.44) L3MBTL1HTTMAPTSMN1; SMN2POLB
SCHEMBL27828819 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL26850220 0.81 POLB (0.44) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1532536 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2POLBKDM4E

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
EP-4073062-B1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) RYVU THERAPEUTICS S A (PL) 2026-04-29 EP disclosed
US-20230076506-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2023-03-09 US disclosed
US-20230055741-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2023-02-23 US disclosed
EP-4073063-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-10-19 EP disclosed
EP-4073062-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-10-19 EP disclosed
WO-2021116446-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
WO-2021116446-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
WO-2021116451-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
WO-2021116451-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
CN-106674096-A Synthesis method of 2, 3-bis-substituted pyridine derivative 上海键合医药科技有限公司 2017-05-17 CN disclosed
CN-102164894-A Heteroaryl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2011-08-24 CN disclosed
EP-1263731-B1 METHOD FOR PRODUCING 5-ARYL NICOTINALDEHYDES MERCK PATENT GMBH (DE) 2010-08-11 EP disclosed
US-RE41008-E1 catalytic hydrogenation 5-arylnicotinic acids in presence of a palladium/ligand complex; intermediates for making N-alkylated amine; for crop protection, such as, fungicides, insecticides, herbicides or pesticides and drugs MERCK PATENT GMBH (DE) 2009-11-24 US disclosed
CN-101291908-A Immunosuppressant compounds and compositions IRM LLC (BM) 2008-10-22 CN disclosed
US-6703509-B2 REDUCTION OF 5-ARYLNICOTINIC ACIDS BY CATALYTIC HYDROGENATION IN THE PRESENCE OF CARBOXYLIC ANHYDRIDES IN WHICH THE CATALYST USED IS A PALLADIUM/LIGAND COMPLEX TO PRODUCE ARYINICOTINALDEHYDES MERCK PATENT GMBH (DE) 2004-03-09 US disclosed
US-20030055259-A1 Method for producing 5-aryl nicotinaldehydes MERCK PATENT GMBH (DE) 2003-03-20 US disclosed
EP-1263731-A1 METHOD FOR PRODUCING 5-ARYL NICOTINALDEHYDES MERCK PATENT GmbH (DE) 2002-12-11 EP disclosed
WO-2001058873-A1 METHOD FOR PRODUCING 5-ARYL NICOTINALDEHYDES MERCK PATENT GMBH (DE) 2001-08-16 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 (3 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-20030055259-A1 Method for producing 5-aryl nicotinaldehydes NAPRT, NOX5, NNT ALDH1A1 101/4885L3MBTL1 4797/4885HTT 1316/4885
US-20230055741-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS ALDH1A1 3577/4885L3MBTL1 4263/4885HTT 4797/4885
US-20230076506-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS ALDH1A1 4263/4885L3MBTL1 4736/4885HTT 4030/4885

“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.