SCHEMBL956020

SCHEMBL956020

N#CCc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPRT1 P00492 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ANPEP P15144 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL8974659 0.79 HSD17B10 (0.41) TDP1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28124379 0.79 POLB (0.43) POLBTDP1ALDH1A1CYP2A6TSHR
SCHEMBL10392260 0.78 TSHR (0.48) TDP1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL10624612 0.78 CYP2A6 (0.48) TDP1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7913536 0.78 ALDH1A1 (0.39) POLBTDP1ALDH1A1CYP2A6TSHR
SCHEMBL30274454 0.76 POLB (0.52) POLBTDP1ALDH1A1CYP2A6TSHR
SCHEMBL596646 0.76 POLB (0.57) POLBTDP1ALDH1A1CYP2A6TSHR
SCHEMBL4698955 0.76 POLB (0.52) POLBTDP1ALDH1A1CYP2A6TSHR
SCHEMBL182660 0.76 CYP1A2 (0.52) TDP1ALDH1A1KDM4ECA1CA2
SCHEMBL30559660 0.76 CYP1A2 (0.52) TDP1ALDH1A1KDM4ECA1CA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037307-B2 2024-07-16 US disclosed
US-12037307-B2 2024-07-16 US disclosed
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2023-07-20 US disclosed
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2023-07-20 US disclosed
US-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same API CORPORATION (JP) 2023-05-09 US disclosed
US-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same API CORPORATION (JP) 2023-05-09 US disclosed
EP-3950664-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API Corporation (JP) 2022-02-09 EP disclosed
US-20220009880-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME API CORPORATION (JP) 2022-01-13 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 US disclosed
US-4745115-A ANTIALLERGENS, RHEUMATIC DISEASES BEECHAM GROUP P.L.C. (GB) 1988-05-17 US disclosed
EP-0183369-A2 Dihydroisoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1986-06-04 EP disclosed
US-4217306-A ANTIARRHYTHMIA AGENTS G. D. SEARLE & CO. (US) 1980-08-12 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 (5 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-11643386-B2 High purity 2-naphthylacetonitrile and method for producing same SULT2A1, GNPAT, SULT1A1 POLB 515/4885TDP1 3726/4885ALDH1A1 49/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B POLB 2769/4885TDP1 1542/4885ALDH1A1 412/4885
US-20220009880-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME SULT2A1, GNPAT, SULT1A1 POLB 515/4885TDP1 3726/4885ALDH1A1 49/4885
US-12037307-B2 SULT2A1, SULT1A1, GNPAT POLB 665/4885TDP1 3551/4885ALDH1A1 40/4885
US-20230227400-A1 HIGH PURITY 2-NAPHTHYLACETONITRILE AND METHOD FOR PRODUCING SAME NAT1, CYP2J2, NQO1 POLB 651/4885TDP1 3467/4885ALDH1A1 232/4885

“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.