SCHEMBL4932128

SCHEMBL4932128

OCCn1cnc(COCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGER1 P34995 2/20 0.38
NR4A2 P43354 1/20 0.38
TSHR P16473 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP2C9 P11712 4/20 0.37

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
SCHEMBL7888003 0.72 IDO1 (0.69) IDO1MRGPRX4KMT2AMEN1SMN1; SMN2
SCHEMBL9716496 0.70 MARS1 (0.47) KCNH2CRHR1
SCHEMBL10636887 0.70 IDO1 (0.56) IDO1MRGPRX4KMT2AMEN1SMN1; SMN2
SCHEMBL5106102 0.70 KMT2A (0.37) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4932130 0.66 ADRA2C (0.35) IDO1KMT2ACYP3A4HTTCYP2C9
SCHEMBL4932106 0.65 CRHR1 (0.36) KMT2ASMN1; SMN2CYP3A4MAPK1TSHR
SCHEMBL4932111 0.65 MARS1 (0.35) IDO1KMT2AMEN1CYP3A4MAPK1
SCHEMBL1072714 0.65 LMNA (0.35) KMT2AMEN1CYP3A4HTTCYP2C9
SCHEMBL28649281 0.65 IDO1 (0.62) IDO1MRGPRX4KMT2AMEN1SMN1; SMN2
SCHEMBL9367249 0.64 IDO1 (0.49) IDO1MRGPRX4KMT2AMEN1CYP1A2

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 IDO1 56/4885MRGPRX4 2585/4885KMT2A 3160/4885

“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.