SCHEMBL4932130

SCHEMBL4932130

COC(c1ncn(CCO)n1)c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.35
CRHR1 P34998 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MARS1 P56192 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPY1R P25929 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 1/20 0.33
SPR P35270 1/20 0.32

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
SCHEMBL4932111 0.80 MARS1 (0.35) ADRA2CCRHR1CYP3A4CYP2C9MARS1
SCHEMBL1072714 0.80 LMNA (0.35) ADRA2CCRHR1CYP3A4CYP2C9MARS1
SCHEMBL9716496 0.69 MARS1 (0.47) CRHR1MARS1KCNH2SPR
SCHEMBL10308906 0.67 ATM (0.32) KCNH2KMT2A
SCHEMBL4932128 0.66 IDO1 (0.40) CRHR1CYP3A4CYP2C9IDO1LMNA
SCHEMBL10692817 0.66 KMT2A (0.38) CYP2C9IDO1TDO2KMT2A
SCHEMBL4932106 0.64 CRHR1 (0.36) CRHR1CYP3A4MARS1TP53KMT2A
SCHEMBL5106102 0.64 KMT2A (0.37) CRHR1CYP3A4CYP2C9MARS1LMNA
SCHEMBL6203042 0.62 TP53 (0.52) ADRA2CIDO1TDO2LMNATP53
SCHEMBL8632275 0.62 LMNA (0.38) TRPC5IDO1TDO2LMNATP53

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 ADRA2C 1183/4885CRHR1 3766/4885CYP3A4 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.