SCHEMBL4932111

SCHEMBL4932111

OCCn1cnc(C(CCF)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.35
ADRA2C P18825 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHR1 P34998 1/20 0.32
IDO1 P14902 1/20 0.32
CCR4 P51679 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4932130 0.80 ADRA2C (0.35) MARS1ADRA2CCYP3A4CYP2C9CRHR1
SCHEMBL1072714 0.79 LMNA (0.35) MARS1ADRA2CCYP3A4CYP2C9CRHR1
SCHEMBL9716496 0.68 MARS1 (0.47) MARS1CRHR1
SCHEMBL4932128 0.65 IDO1 (0.40) CYP3A4CYP2C9CRHR1IDO1TSHR
SCHEMBL10308906 0.63 ATM (0.32) MEN1KMT2A
SCHEMBL4932106 0.63 CRHR1 (0.36) MARS1CYP3A4CRHR1TP53MAPT
SCHEMBL3192743 0.61 ADRA2C (0.50) ADRA2CIDO1TP53TSHRNPSR1
SCHEMBL31074209 0.61 ADRA2C (0.50) ADRA2CIDO1TP53TSHRNPSR1
SCHEMBL14109383 0.59 MAOB (0.35)
SCHEMBL17513258 0.59 TP53 (0.53) ADRA2CCYP3A4IDO1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188129-B2 (−)-enantiomer of the 2-[2-(1-chloro-cyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-[1,2,4]-triazole-3-thione BAYER AKTIENGESELLSCHAFT (DE) 2012-05-29 US disclosed
US-20080113864-A1 (-)-Enantiomer of the 2-[2-(1-chloro-cyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-[1,2,4]-triazole-3-thione BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-05-15 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 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-20080113864-A1 (-)-Enantiomer of the 2-[2-(1-chloro-cyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-[1,2,4]-triazole-3-thione CYP51A1, CTRL, CASP2 MARS1 1911/4885ADRA2C 1183/4885CYP3A4 238/4885

“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.