SCHEMBL6742452

SCHEMBL6742452

c1ccc(CNCCc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 2/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 3/20 0.56
LMNA P02545 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CHRM2 P08172 1/20 0.54
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5573633 0.90 CHRM2 (0.60) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL29761156 0.87 CHRM2 (0.66) ALDH1A1KDM4EALOX15LMNATDP1
SCHEMBL5707323 0.87 CYP1A2 (0.60) CYP1A2CYP2D6ALDH1A1CYP2C19GAA
SCHEMBL6322772 0.87 BCHE (0.72) ALDH1A1MEN1KMT2A
SCHEMBL1392847 0.87 CHRM2 (0.70) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL2854495 0.87 KDM4E (0.59) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL2854302 0.87 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL6832167 0.87 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL5575878 0.85 KDM4E (0.66) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL30338402 0.85 KDM4E (0.66) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2023-07-06 US disclosed
EP-3363288-B1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR MOSSES CUREARTH INC (KR) 2022-09-07 EP disclosed
CN-108347925-B Compositions for destroying microalgae or moss 株式会社CUREARTH 2021-07-16 CN disclosed
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus CUREARTH, INC. (KR) 2021-06-29 US disclosed
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus CUREARTH, INC. (KR) 2021-06-29 US disclosed
US-20180271091-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS CUREARTH, INC. (KR) 2018-09-27 US disclosed
EP-3363288-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS Curearth, Inc. (KR) 2018-08-22 EP disclosed
WO-2017065401-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS 주식회사 큐얼스 2017-04-20 WO disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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-20180271091-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885ALDH1A1 4461/4885
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885ALDH1A1 4461/4885
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NOS1, NOS2, NOS3 CYP1A2 297/4885CYP2D6 464/4885ALDH1A1 2101/4885

“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.