Sugi Predict

Sugi Predict / Compounds / SCHEMBL4491007

SCHEMBL4491007

SCHEMBL4491007

C=CCC(C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TRPA1 O75762 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL17109517 0.82 ESR2 (0.38) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL5879335 0.81 ESR1 (0.37) SMN1; SMN2CYP2C19ALDH1A1ATML3MBTL1
SCHEMBL18386352 0.81 L3MBTL1 (0.46) SMN1; SMN2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL11149256 0.81 ESR1 (0.58) SMN1; SMN2CYP2C19ALDH1A1MAPTALOX15
SCHEMBL988872 0.80 TRPA1 (0.42) SMN1; SMN2CYP2C19TRPA1TSHRALDH1A1
SCHEMBL15571133 0.80 TRPA1 (0.42) SMN1; SMN2CYP2C19TRPA1TSHRALDH1A1
SCHEMBL28152736 0.80 CYP2C19 (0.52) SMN1; SMN2CYP2C19TRPA1TSHRALDH1A1
SCHEMBL20005714 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL8332289 0.79 HPGD (0.39) SMN1; SMN2CYP2C19TSHRALDH1A1KDM4E
SCHEMBL11870921 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642483-B1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF DOW CHEMICAL CO (US) 1998-02-18 — — EP claimed
US-5227560-A Vinylene or exomethylene groups from active methine compounds THE DOW CHEMICAL COMPANY (US) 1993-07-13 — — US claimed
US-5026897-A Chemically mask cholinesterase enzymes; antispasmotic agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1991-06-25 — — US claimed
EP-4422618-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS Anovia Biosciences, Inc. (US) 2024-09-04 — — EP disclosed
US-12016864-B2 LOX enzyme inhibiting methods and compositions ANOVIA BIOSCIENCES, INC. (US) 2024-06-25 — — US disclosed
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES INC (US) 2023-12-07 — — US disclosed
US-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. 2023-10-05 — — US disclosed
US-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. 2023-10-05 — — US disclosed
US-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. 2023-10-05 — — US disclosed
WO-2023076567-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. (US) 2023-05-04 — — WO disclosed
WO-2023076567-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. (US) 2023-05-04 — — WO disclosed
WO-1999038514-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-08-05 — — WO disclosed
WO-1999004794-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-02-04 — — WO disclosed
US-4567005-A ALLYL CARBONATE, METAL CATALYST THE DOW CHEMICAL COMPANY (US) 1986-01-28 — — US disclosed
EP-0068331-B1 TETRAHYDROFURAN COMPOUNDS AND ANALOGS THEREOF Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-01-15 — — EP disclosed
US-4438131-A CARDIOVASCULAR DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 — — US disclosed
US-4414216-A NEUROLEPTICS YOSHITOMI PHAMACEUTICAL INDUSTRIES, LTD. (JP) 1983-11-08 — — US disclosed
EP-0068331-A1 Tetrahydrofuran compounds and analogs thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1983-01-05 — — EP disclosed
EP-0064158-A1 Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1982-11-10 — — EP disclosed
US-4186270-A CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS THE DOW CHEMICAL COMPANY (US) 1980-01-29 — — 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 (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-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 SMN1; SMN2 2868/4885CYP2C19 653/4885TRPA1 3314/4885
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 SMN1; SMN2 3180/4885CYP2C19 713/4885TRPA1 3050/4885
US-12016864-B2 LOX enzyme inhibiting methods and compositions LOX, LOXL1, LOXL2 SMN1; SMN2 1926/4885CYP2C19 506/4885TRPA1 2416/4885

“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.