Sugi Predict

Sugi Predict / Compounds / SCHEMBL70784

SCHEMBL70784

SCHEMBL70784

CN(CCCl)c1ccc(C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.55
▸ CYP2A13 Q16696 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ ALDH1A3 P47895 5/20 0.52
▸ ALDH3A1 P30838 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TYR P14679 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 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
SCHEMBL11295939 0.89 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13645995 0.88 CYP2A6 (0.64) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL10936699 0.84 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13645975 0.84 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL3689253 0.82 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12201383 0.82 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL10892510 0.82 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL3302551 0.81 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL21124408 0.81 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL20861927 0.81 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375626-B Fluorescent probe for identifying G-quadruplex DNA and preparation method thereof 安徽大学 2025-04-08 — — CN claimed
CN-116375626-A Fluorescent probe for identifying G-quadruplex DNA and preparation method thereof 安徽大学 2023-07-04 — — CN claimed
CN-116375626-B Fluorescent probe for identifying G-quadruplex DNA and preparation method thereof 安徽大学 2025-04-08 — — CN disclosed
US-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF EXPANSION TECHNOLOGIES (US) 2023-09-07 — — US disclosed
US-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF EXPANSION TECHNOLOGIES (US) 2023-09-07 — — US disclosed
CN-116375626-A Fluorescent probe for identifying G-quadruplex DNA and preparation method thereof 安徽大学 2023-07-04 — — CN disclosed
CN-105017090-A 4-(N-methyl-N-sulfoethyl)aminobenzaldehyde sodium salt synthesis method TIANCHANG TIANJIA CHEMICAL TECHNOLOGY CO LTD 2015-11-04 — — CN disclosed
CN-105017090-A 4-(N-methyl-N-sulfoethyl)aminobenzaldehyde sodium salt synthesis method TIANCHANG TIANJIA CHEMICAL TECHNOLOGY CO LTD 2015-11-04 — — CN disclosed
CN-101326246-B Mixture of sulfide dyes CIBA SC HOLDING AG 2012-09-05 — — CN disclosed
US-8129509-B2 alkylation to form reporter molecule with nitrogen mustard moiety; kits MIRUS BIO LLC (US) 2012-03-06 — — US disclosed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 — — US disclosed
EP-0089566-B1 PROCESS FOR THE PREPARATION OF CATIONIC METHINE DYES BAYER AG (DE) 1985-10-02 — — EP disclosed
US-4542223-A Process for the preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-17 — — US disclosed
US-4542224-A Process for preparing cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-17 — — US disclosed
US-4513142-A Preparation of cationic methine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-04-23 — — US disclosed
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 — — EP disclosed
US-4267319-A CATIONIC DYES AND N-HETEROCYCLIC CATIONIC POLYMERS; PRINTING PAPER; ORANGE OR RED BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 — — US disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 — — US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 — — US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 — — 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 (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-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF DCLRE1A, ACR, PHAX CYP2A6 4841/4885CYP2A13 4817/4885ALDH1A1 2377/4885

“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.