SCHEMBL2854484

SCHEMBL2854484

Clc1ccc(CNCCc2ccncc2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
CYP2D6 P10635 3/20 0.68
CYP2C19 P33261 3/20 0.68
CYP2C9 P11712 2/20 0.68
CYP3A4 P08684 2/20 0.59
ROCK1 Q13464 3/20 0.56
SIGMAR1 Q99720 5/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
CHEK1 O14757 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL18768854 0.86 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL18768843 0.83 CYP1A2 (0.71) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL2857170 0.82 HTR5A (0.58) CYP1A2CYP2D6CYP2C19CYP2C9ROCK1
SCHEMBL10557535 0.81 CA12 (0.58) ROCK1ALDH1A1KDM4EGLATAAR1
SCHEMBL8306739 0.81 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL11089154 0.80 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CYP2C9ROCK1
SCHEMBL5805752 0.79 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL9587301 0.78 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4
SCHEMBL8987672 0.76 L3MBTL1 (0.65) CYP1A2CYP2D6CYP2C19CYP2C9SIGMAR1
SCHEMBL9618249 0.76 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP2C9ROCK1

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
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
CN-108347925-A composition for destroying microalgae or moss 株式会社CUREARTH 2018-07-31 CN disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (4 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CYP1A2 1874/4885CYP2D6 2653/4885CYP2C19 1755/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CYP1A2 1874/4885CYP2D6 2653/4885CYP2C19 1755/4885
US-20180271091-A1 COMPOSITION FOR DESTRUCTION OF MICROALGAE OR SPHAEROCARPUS TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885CYP2C19 4607/4885
US-11044909-B2 Composition for destruction of microalgae or sphaerocarpus TK1, TRHDE, TK2 CYP1A2 4399/4885CYP2D6 4332/4885CYP2C19 4607/4885

“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.