SCHEMBL3752386

SCHEMBL3752386

NC(=S)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.50
KDM4E B2RXH2 1/20 0.49
EPHX1 P07099 2/20 0.49
POLB P06746 1/20 0.49
RBP4 P02753 4/20 0.48
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 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
SCHEMBL3751466 0.83 ALDH1A1 (0.57) MAPTMEN1KMT2APOLBTRPV1
SCHEMBL27998834 0.80 MAPT (0.67) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8297736 0.79 MAPT (0.74) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL19158930 0.74 MAPT (0.66) MAPTMEN1KMT2APOLBTRPV1
SCHEMBL13509166 0.74 MAPT (0.57) MAPTKDM4ERBP4TRPV1TAS1R3
SCHEMBL5150505 0.73 MEN1 (0.67) MAPTMEN1KMT2AIDO1EPHX1
SCHEMBL2588962 0.73 IDO1 (0.68) MAPTMEN1KMT2AIDO1EPHX1
SCHEMBL29639348 0.73 IDO1 (0.68) MAPTMEN1KMT2AIDO1EPHX1
SCHEMBL10253281 0.73 MAPT (0.67) MAPTMEN1KMT2APOLBLMNA
SCHEMBL3680260 0.72 CCR3 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 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 (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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 MAPT 3897/4885MEN1 2411/4885KMT2A 2074/4885

“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.