SCHEMBL898846

SCHEMBL898846

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.38
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
GRM5 P41594 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
ALOX15 P16050 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
SCHEMBL899764 0.89 GABRG2 (0.38) GABRG2GABRB3GABRA5NR3C2P2RX7
SCHEMBL899830 0.83 HTT (0.40) P2RX7CYP11B2PTGS1PTGS2CYP2D6
SCHEMBL899733 0.81 GABRA2 (0.47) GABRG2GABRB3GABRA5GABRA2GABRB2
SCHEMBL899870 0.72 GABRG2 (0.35) GABRG2GABRB3GABRA5CYP11B2PTGS1
SCHEMBL20027602 0.70 FGFR1 (0.46) PTGS1PTGS2GAA
SCHEMBL2549470 0.69 NOTUM (0.49) P2RX7
SCHEMBL23354871 0.66 MARS1 (0.46) MARS1NR3C2P2RX7GRM5MEN1
SCHEMBL25342571 0.66 EGLN1 (0.53) RAB9A
SCHEMBL30582191 0.65 GRM2 (0.41) MARS1NR3C2P2RX7GRM5ALOX15
SCHEMBL167526 0.64 AURKA (0.42) MARS1P2RX7GRM5GABRA2GABRB2

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 MARS1 1210/4885GABRG2 2455/4885GABRB3 2330/4885

“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.