SCHEMBL745474

SCHEMBL745474

S=c1c2ccccc2[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.68
▸ HSD17B10 Q99714 5/20 0.68
▸ GPR3 P46089 2/20 0.68
▸ CDK4 P11802 1/20 0.67
▸ CCND1 P24385 1/20 0.67
▸ KMT2A Q03164 3/20 0.58
▸ HPGD P15428 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ AHR P35869 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL29558542 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10GPR3CDK4CCND1
SCHEMBL29814291 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10GPR3CDK4CCND1
SCHEMBL19770686 0.91 CDK4 (0.75) ALDH1A1HSD17B10GPR3CDK4CCND1
Carbazole SCHEMBL30761795 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
Carbazole SCHEMBL29627417 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
Carbazole SCHEMBL29355407 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
Carbazole SCHEMBL370524 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
Carbazole SCHEMBL7650 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
Carbazole SCHEMBL30209164 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR3KMT2AHPGD
SCHEMBL21064780 0.82 NPC1 (0.64) ALDH1A1HSD17B10GPR3CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709853-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2026-03-18 — — EP disclosed
WO-2024235844-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-21 — — WO disclosed
US-11913884-B2 Visible light-activated dyes and methods of use thereof WILLIAM MARSH RICE UNIVERSITY (US) 2024-02-27 — — US disclosed
US-11913884-B2 Visible light-activated dyes and methods of use thereof WILLIAM MARSH RICE UNIVERSITY (US) 2024-02-27 — — US disclosed
WO-2023083465-A1 A STABLE FORMULATION OF P2S5·2C5H5N VIRONOVA THIONATION AB (SE) 2023-05-19 — — WO disclosed
WO-2023083465-A1 A STABLE FORMULATION OF P2S5·2C5H5N VIRONOVA THIONATION AB (SE) 2023-05-19 — — WO disclosed
EP-3718560-A2 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE The University of North Carolina at Chapel Hill (US) 2020-10-07 — — EP disclosed
EP-3406260-B1 CYCLIN DEPENDENT KINASE INHIBITORS AND METHODS OF USE UNIV NORTH CAROLINA CHAPEL HILL (US) 2020-09-23 — — EP disclosed
US-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF WILLIAM MARSH RICE UNIVERSITY 2020-08-27 — — US disclosed
CN-111378162-A Energy absorption method based on dynamic polymer 翁秋梅 2020-07-07 — — CN disclosed
US-4188359-A CORROSION INHIBITION PETROLITE CORPORATION (US) 1980-02-12 — — US disclosed
US-4187277-A Process of inhibiting corrosion with quaternaries of halogen derivatives of alkynoxymethyl amines PETROLITE CORPORATION (US) 1980-02-05 — — US disclosed
US-4146711-A CORROSION INHIBITORS, MICROBIOCIDES PETROLITE CORPORATION (US) 1979-03-27 — — US disclosed
US-4146709-A CORROSION INHIBITORS, MICROBIOCIDES PETROLITE CORPORATION (US) 1979-03-27 — — US disclosed
US-4120654-A Alkynoxymethyl amines as corrosion inhibitors PETROLITE CORPORATION (US) 1978-10-17 — — US disclosed
US-4113709-A Polyquaternary polythiazines PETROLITE CORPORATION (US) 1978-09-12 — — US disclosed
US-4101674-A Halogen derivatives of alkynoxymethyl amines as microbiocides PETROLITE CORPORATION (US) 1978-07-18 — — US disclosed
US-4065260-A Halogen derivatives of alkynoxymethyl amines as corrosion inhibitors PETROLITE CORPORATION (US) 1977-12-27 — — US disclosed
US-4026946-A CORROSION INHIBITORS PETROLITE CORPORATION (US) 1977-05-31 — — US disclosed
US-4026807-A CORROSION INHIBITORS PETROLITE CORPORATION (US) 1977-05-31 — — 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-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF HCCS, CLTB, ALDH1A2 ALDH1A1 311/4885HSD17B10 3034/4885GPR3 2940/4885
US-11913884-B2 Visible light-activated dyes and methods of use thereof HCCS, CLTB, ALDH1A2 ALDH1A1 311/4885HSD17B10 3034/4885GPR3 2940/4885

“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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