SCHEMBL4234596

SCHEMBL4234596

CCCCCCCCCCCCCCCCn1ccnc1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.85
▸ KMT2A Q03164 2/20 0.85
▸ POLB P06746 1/20 0.85
▸ TLR8 Q9NR97 2/20 0.62
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL2328687 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL4068798 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL4070067 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267924 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL5165082 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25270261 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25240227 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267373 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL634872 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL363481 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315728-B Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester 中国科学院大连化学物理研究所 2024-04-19 — — CN disclosed
US-11419335-B2 N-arylated analogues and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-08-23 — — US disclosed
WO-2018106922-A1 N-ARYLATED ANALOGUES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-06-14 — — WO disclosed
CN-107413386-A A kind of catalyst of methanol liquid phase one-step oxidation to methylal and preparation method thereof and application method 中国科学院成都有机化学有限公司 2017-12-01 — — CN disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 — — EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 — — US disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 — — US disclosed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 — — WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 — — WO disclosed
US-4140518-A IMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 — — US disclosed
US-4062965-A Quaternary imidazole compounds as microbicides TH. GOLDSCHMIDT AG (DT) 1977-12-13 — — US 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-11419335-B2 N-arylated analogues and uses thereof CFTR, UGT1A1, NAT1 ALDH1A1 691/4885KMT2A 4201/4885POLB 2282/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 ALDH1A1 3717/4885KMT2A 4633/4885POLB 3633/4885

“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.

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