SCHEMBL2094993

SCHEMBL2094993

Cc1c(F)c(Cl)nc(Cl)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SORT1 Q99523 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
DHODH Q02127 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL30932668 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9088762 0.98 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL28887984 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL9088755 0.84 SMN1; SMN2 (0.36) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29250918 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL17008019 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL31518421 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL10440650 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL29235090 0.80 PDE10A (0.44) ALDH1A1MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4424068 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2POLBKMT2A

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
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
CN-118026996-A Preparation method of 1-cyclopropyl-5, 6-difluoro-2- (5-fluoro-4-methylpyridine-3-yl) -1H-benzo [ d ] imidazole 无锡捷化医药科技有限公司 2024-05-14 CN disclosed
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
CN-117800904-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2024-04-02 CN disclosed
CN-113166061-B ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2023-11-21 CN disclosed
CN-113061132-B Condensed ring lactam compound, preparation method and application 上海凌达生物医药有限公司 2023-11-14 CN disclosed
WO-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0326891-B1 Antibacterial agents WARNER LAMBERT CO (US) 1994-08-03 EP disclosed
EP-0544981-A2 Naphthyridone carboxylic acid derivatives and antibacterial compositions containing them WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
EP-0387802-A2 5-Substituted-1,4-dihydro-4-oxonaphthyridine-3-carboxylate antibacterial agents Bristol-Myers Squibb Company (US) 1990-09-19 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 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 (2 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 ALDH1A1 292/4885MAPK1 341/4885SMN1; SMN2 2135/4885
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 ALDH1A1 3028/4885MAPK1 4510/4885SMN1; SMN2 596/4885

“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.