SCHEMBL899764

SCHEMBL899764

O=C(Cl)c1c(Cl)ncn1-c1ccc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
NR3C2 P08235 1/20 0.37
P2RX7 Q99572 3/20 0.36
CYP11B2 P19099 1/20 0.36
HCAR1 Q9BXC0 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GRM5 P41594 2/20 0.35
ALOX15 P16050 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL898846 0.89 MARS1 (0.38) GABRG2GABRB3GABRA5NR3C2P2RX7
SCHEMBL899830 0.83 HTT (0.40) P2RX7CYP11B2PTGS1PTGS2CYP2D6
SCHEMBL899733 0.81 GABRA2 (0.47) GABRG2GABRB3GABRA5CYP1A2CYP2C19
SCHEMBL899870 0.69 GABRG2 (0.35) GABRG2GABRB3GABRA5CYP11B2PTGS1
SCHEMBL30582191 0.65 GRM2 (0.41) NR3C2P2RX7GRM5ALOX15
SCHEMBL168945 0.64 AURKA (0.42) P2RX7GRM5RAB9ASMN1; SMN2
SCHEMBL106341 0.63 HPGD (0.54) P2RX7ALOX15GAAKMT2ARAB9A
SCHEMBL2549470 0.63 NOTUM (0.49) P2RX7
SCHEMBL27745447 0.63 ALDH1A1 (0.41) NR3C2P2RX7GRM5ALOX15MEN1
SCHEMBL899443 0.63 GABRB2 (0.44) GABRG2GABRB3GABRA5CYP11B2CYP1A2

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
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 GABRG2 2455/4885GABRB3 2330/4885GABRA5 2515/4885

“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.