SCHEMBL8605474

SCHEMBL8605474

Cc1cc(Cl)ccc1OCC(C)N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.66
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
HTR2C P28335 1/20 0.47
LMNA P02545 3/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47

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
SCHEMBL16454997 0.86 SCN4A (0.50) SCN4ATSHRHTR2AHTR2BLMNA
SCHEMBL325648 0.86 SCN4A (0.60) SCN4AGAAALDH1A1TSHRHTR2A
SCHEMBL8683353 0.84 SMN1; SMN2 (0.51) SCN4ATSHRLMNACYP1A2CYP2D6
SCHEMBL8683356 0.84 SMN1; SMN2 (0.51) SCN4ATSHRLMNACYP1A2CYP2D6
SCHEMBL20611234 0.82 SCN4A (0.50) SCN4AGAAALDH1A1TSHRHTR2A
SCHEMBL14578182 0.81 PTGER1 (0.48) SCN4AGAAALDH1A1HTR2ACYP1A2
SCHEMBL16454999 0.79 SCN4A (0.47) SCN4AGAAALDH1A1TSHRHTR2A
SCHEMBL773261 0.79 ALOX15 (0.59) SCN4AGAAALDH1A1TSHRHTR2A
SCHEMBL25586015 0.78 SCN4A (0.55) SCN4AGAAALDH1A1TSHRHTR2A
SCHEMBL16454995 0.78 KDM4E (0.54) SCN4AALDH1A1TSHRHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
CN-1078204-C Amino acid amide derivative, agrohorticultural bactericide, and production process KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-23 CN disclosed
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
CN-1108863-A Amino acid amide derivative, agrohorticultural bactericide, and production process KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-09-20 CN disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 SCN4A 725/4885GAA 630/4885ALDH1A1 350/4885

“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.