SCHEMBL6832167

SCHEMBL6832167

Brc1ccc(CNCCc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
ALOX15 P16050 2/20 0.50
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 1/20 0.49
DPP7 Q9UHL4 1/20 0.48
ADRB2 P07550 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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 0.87 CHRM2 (0.60) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL6742452 0.87 CYP1A2 (0.60) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL2854495 0.84 KDM4E (0.59) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL2854302 0.84 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL18768781 0.84 KDM4E (0.56) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL1392847 0.81 CHRM2 (0.70) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL19909336 0.81 MAOA (0.57) CYP1A2CYP2D6ALDH1A1CYP2C19POLB
SCHEMBL13778175 0.81 ALDH1A1 (0.56) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL1921574 0.79 HRH3 (0.70) CYP1A2CYP2D6ALDH1A1CYP2C19HRH3
SCHEMBL6322772 0.79 BCHE (0.72) ALDH1A1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2004096771-A1 BIARYL COMPOUNDS HAVING ACTIVITY AT THE 5HT5A RECEPTOR GLAXO GROUP LIMITED (GB) 2004-11-11 WO 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-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

“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.