SCHEMBL20249062

SCHEMBL20249062

Cc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3Cl)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.44
GABRB2 P47870 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRB3 P28472 11/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL18321922 0.95 GABRA2 (0.46) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL1550851 0.90 GABRA2 (0.43) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL1551144 0.88 RAB9A (0.45) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL20249059 0.81 NPC1 (0.41) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL20249060 0.79 DDR1 (0.41) NPC1RAB9AMAPT
SCHEMBL549152 0.77 GABRA2 (0.58) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL548181 0.76 POLB (0.59) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL18327913 0.76 NPC1 (0.43) GABRA2GABRB2NPC1RAB9AGABRB3
SCHEMBL1550424 0.75 RAB9A (0.53) NPC1RAB9AMAPTGRM1
SCHEMBL18327912 0.74 NR1I2 (0.41) NPC1RAB9AGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180160686-A1 DIARYLAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2018-06-14 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-20180160686-A1 DIARYLAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT L3MBTL1, L3MBTL3, L3MBTL4 GABRA2 4074/4885GABRB2 4068/4885NPC1 2264/4885

“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.