SCHEMBL538283

SCHEMBL538283

Cc1ccc(-c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
HPGDS O60760 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PDK2 Q15119 1/20 0.41

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
SCHEMBL12359218 1.00 NPC1 (0.50) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17051516 0.90 HPGDS (0.54) NPC1RAB9APKMHPGDSPIK3CD
SCHEMBL27905344 0.90 HPGDS (0.44) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL9974925 0.90 PTGS2 (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17055513 0.90 CYP3A4 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16189444 0.90 L3MBTL1 (0.55) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17532861 0.90 L3MBTL1 (0.55) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16189263 0.90 L3MBTL1 (0.55) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17055531 0.87 HPGDS (0.50) NPC1RAB9APKMHPGDSCYP2A6
SCHEMBL676678 0.87 HPGDS (0.56) NPC1RAB9APKMHPGDSPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57016862-A None JP disclosed
US-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND NANKAI UNIVERSITY (CN) 2026-04-30 US disclosed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
US-12240812-B2 Compound for inhibiting PGE2/EP4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2025-03-04 US disclosed
CN-115710219-B Method for preparing meta-cyano-substituted pyridine compound 南开大学 2024-12-03 CN disclosed
WO-2024216732-A1 METHOD FOR PREPARING PYRIDINE COMPOUND WITH META POSITION THEREOF SUBSTITUTED BY CHIRAL ALLYL 南开大学 2024-10-24 WO disclosed
CN-116396211-B Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2024-10-01 CN disclosed
EP-3889134-B1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF KEYTHERA SUZHOU PHARMACEUTICALS CO LTD (CN) 2024-09-25 EP disclosed
WO-2024144190-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed
WO-2024094819-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 WO disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
WO-1994011378-A1 ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-05-26 WO disclosed
US-5314900-A Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-24 US disclosed
US-5314898-A Inhibitors of 5-lipoxygenase MERCK & CO., INC. (US) 1994-05-24 US disclosed
US-5298486-A Orange oils for orange juice or seafood flavors FIRMENICH S.A. (CH) 1994-03-29 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
US-5004743-A Antiinflammatory, cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1991-04-02 US disclosed
EP-0318083-A2 Pyridyl dialkanoic acids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 EP disclosed
JP-S5716862-A 2-ALKYL-5-PHENYLPYRIDINE AND SPICERY COMPOSITION CONTAINING THE SAME TAKASAGO CORP 1982-01-28 JP 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-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND GAPVD1, TDO2, NOD1 NPC1 2777/4885RAB9A 514/4885NFKB1 2501/4885
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 NPC1 3402/4885RAB9A 1741/4885NFKB1 923/4885
US-12240812-B2 Compound for inhibiting PGE2/EP4 signaling transduction inhibiting, preparation method therefor, and medical uses thereof PTGER4, PTGER1, PTGES NPC1 3159/4885RAB9A 4488/4885NFKB1 589/4885

“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.