SCHEMBL43251

SCHEMBL43251

Cc1cc(C)cc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
LOX P28300 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TACR1 P25103 2/20 0.35
IDO1 P14902 1/20 0.34
IDH1 O75874 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
Hydrochloric Acid SCHEMBL7893804 0.97 ALDH1A1 (0.45) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL12968186 0.94 PGK1 (0.42) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL31686189 0.89 ALDH1A1 (0.60) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL22700417 0.89 ALDH1A1 (0.60) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL13981840 0.84 PGK1 (0.37) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL14464883 0.82 PNMT (0.46) LOXL2TAAR1LOXIDO1
SCHEMBL1363875 0.82 TACR1 (0.44) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL4162524 0.82 LOXL2 (0.42) ALDH1A1TSHRLOXL2TAAR1IDO1
SCHEMBL13761145 0.82 TAAR1 (0.34) ALDH1A1TSHRLOXL2TAAR1PGK1
SCHEMBL8364823 0.82 TAAR1 (0.34) ALDH1A1TSHRLOXL2TAAR1PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528816-A PARP-1 inhibitor and preparation method thereof 吉林省药物研究院 2025-02-28 CN claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO claimed
US-5853933-A Photoconductive member and perylene processes XEROX CORPORATION (US) 1998-12-29 US claimed
EP-4727944-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-22 EP disclosed
CN-120058675-A Preparation and purification method and application of quinoline derivative with biological activity 河南科技大学 2025-05-30 CN disclosed
US-20250171582-A1 CURING AGENT COMPOSITION FOR THERMOSETTING RESIN, EPOXY RESIN COMPOSITION, AND FIBER-REINFORCED COMPOSITE MATERIAL TEIJIN LIMITED (JP) 2025-05-29 US disclosed
US-20250122225-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-17 US disclosed
WO-2025076476-A2 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-10 WO disclosed
CN-119528816-A PARP-1 inhibitor and preparation method thereof 吉林省药物研究院 2025-02-28 CN disclosed
WO-2024256496-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT PERHA PHARMACEUTICALS (FR) 2024-12-19 WO disclosed
EP-4477653-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2024-12-18 EP disclosed
EP-0593559-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1994-04-27 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
WO-1993001169-A2 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-01-21 WO disclosed
EP-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP disclosed
US-4959379-A TREATING PLANTS AND SEEDS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
US-4940705-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0322643-A1 Medicines containing as a mixture interferon and 1-desoxy-piperidinoses, process for their manufacture and their use BAYER AG (DE) 1989-07-05 EP disclosed
EP-0313974-A1 N-substituted derivatives of 1-desoxynojirimycine and 1-desoxymannonojirimycine, process for their preparation and their use as pharmaceuticals BAYER AG (DE) 1989-05-03 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 (1 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-20250122225-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, SPINT2, SERPINB1 ALDH1A1 4714/4885TSHR 1687/4885LOXL2 755/4885

“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.