SCHEMBL523753

SCHEMBL523753

c1ccc(NCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 1.00
ALDH1A1 P00352 1/20 0.72
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
PABPC1 P11940 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
RAB9A P51151 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
VNN1 O95497 1/20 0.55

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
SCHEMBL30642394 1.00 LTA4H (1.00) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL5605047 0.90 LTA4H (0.82) LTA4HALDH1A1CYP1A2CYP2D6MEN1
Acetic Acid SCHEMBL28215808 0.90 LTA4H (0.81) LTA4HALDH1A1CYP1A2MEN1MAPT
SCHEMBL6730389 0.90 LTA4H (0.81) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL4805011 0.89 LTA4H (0.79) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL6833672 0.85 LTA4H (0.73) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL1923699 0.84 KCNH3 (0.73) LTA4HALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL10371775 0.84 LTA4H (0.72) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL6730610 0.84 LTA4H (0.72) LTA4HALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL171745 0.84 ALDH1A1 (1.00) LTA4HALDH1A1CYP1A2CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119110720-A Cosmetic composition 布茨公司 2024-12-10 CN disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20220185793-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-16 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
WO-2002100825-A2 ANTHRANILIC ACID AMIDES WITH A HETEROARYLSULFONYL SIDE CHAIN, AND USE THEREOF AS ANTIARRHYTHMIC ACTIVE SUBSTANCES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-19 WO disclosed
US-5424436-A Processes for the synthesis of unsymmetrical secondary amines REILLY INDUSTRIES, INC. (US) 1995-06-13 US disclosed
EP-0598962-A1 Imidazole derivatives as calcium channel blockers NEUROSEARCH A/S (DK) 1994-06-01 EP disclosed
US-5296493-A Analgesics or antiischemics NEUROSEARCH A/S (DK) 1994-03-22 US disclosed
US-5252741-A Processes for the synthesis of imines, aldehydes, and unsymmetrical secondary amines REILLY INDUSTRIES, INC. (US) 1993-10-12 US disclosed
EP-0548233-A1 PROCESSES FOR THE SYNTHESIS OF IMINES, ALDEHYDES, AND UNSYMMETRICAL SECONDARY AMINES. REILLY IND INC (US) 1993-06-30 EP disclosed
WO-1992002507-A1 PROCESSES FOR THE SYNTHESIS OF IMINES, ALDEHYDES, AND UNSYMMETRICAL SECONDARY AMINES REILLY INDUSTRIES, INC. (US) 1992-02-20 WO disclosed
US-4874775-A INHIBIT PHYTOPATHOGENS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
EP-0206581-A2 Agriculturally-useful sulfonamides ELI LILLY AND COMPANY (US) 1986-12-30 EP disclosed
CN-86103621-A The method of the sulphonamide of preparation agriculturally useful 1986-12-10 CN 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-20220185793-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF TP53, HAVCR2, AQP1 LTA4H 2745/4885ALDH1A1 819/4885CYP1A2 493/4885

“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.