Sugi Predict

Sugi Predict / Compounds / SCHEMBL40613

SCHEMBL40613

SCHEMBL40613

C[C](C)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 8/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ NPC1 O15118 7/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPK1 P28482 4/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.47

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
SCHEMBL40614 1.00 TRPA1 (0.61) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL1405427 0.82 MAPT (0.70) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL1405426 0.82 MAPT (0.70) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL18806555 0.82 MAPT (0.70) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL19749969 0.82 TRPA1 (0.57) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL2239365 0.79 ALDH1A1 (0.92) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL9418780 0.79 ALDH1A1 (0.92) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL90893 0.79 ALDH1A1 (0.92) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL21023910 0.79 ALDH1A1 (0.92) TRPA1ALDH1A1MAPTRAB9ACASP3
SCHEMBL21024214 0.79 ALDH1A1 (0.92) TRPA1ALDH1A1MAPTRAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 — — EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 — — US claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 — — EP claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 — — WO disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 — — US disclosed
WO-2023081505-A1 ADJUVANT COMPOUNDS AND FORMULATIONS ADJUVANCE TECHNOLOGIES, INC. (US) 2023-05-11 — — WO disclosed
EP-4001290-A1 TRITERPENE SAPONIN ANALOGUES Adjuvance Technologies, Inc. (US) 2022-05-25 — — EP disclosed
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags Roche Sequencing Solutions, Inc. (US) 2022-02-01 — — US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 — — US disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 — — EP disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 — — EP disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 — — EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 — — EP disclosed
WO-1990000551-A1 PROCESS FOR THE PREPARATION OF QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-01-25 — — WO disclosed
EP-0350950-A1 Process for the preparation of quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1990-01-17 — — 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 (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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD TRPA1 2352/4885ALDH1A1 1562/4885MAPT 4055/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 TRPA1 4586/4885ALDH1A1 69/4885MAPT 4170/4885
US-11237156-B2 Method and composition for detection of peptide cyclization using protein tags CACYBP, VIP, PTMS TRPA1 4296/4885ALDH1A1 4869/4885MAPT 4285/4885

“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.