SCHEMBL20249059

SCHEMBL20249059

CCSc1cc(C(F)(F)F)ccc1-n1nnc(-c2ccc(C)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.37
NPBWR1 P48145 1/20 0.34
GRM1 Q13255 2/20 0.34
DDR1 Q08345 1/20 0.34
GABRB3 P28472 3/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
DHFR P00374 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL18327913 0.95 NPC1 (0.43) NPC1RAB9ALMNANFKB1GRM1
SCHEMBL20249062 0.81 GABRA2 (0.44) NPC1RAB9AMAPTNPBWR1GRM1
SCHEMBL20249060 0.80 DDR1 (0.41) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL29624443 0.79 NPC1 (0.43) NPC1RAB9ALMNAGRM1GABRB3
SCHEMBL20249061 0.79 PTGS2 (0.42) NPC1RAB9ALMNANFKB1NFKB2
SCHEMBL20526158 0.79 NPC1 (0.43) NPC1RAB9ALMNAGRM1GABRB3
SCHEMBL18321922 0.76 GABRA2 (0.46) NPC1RAB9AGRM1GABRB3GABRA2
SCHEMBL18327912 0.75 NR1I2 (0.41) NPC1RAB9ALMNAGRM1DDR1
SCHEMBL19017319 0.75 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL29755704 0.75 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2ATP53

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-10548316-B2 Diarylazole compound and harmful organism control agent NIPPON SODA CO., LTD. (JP) 2020-02-04 US disclosed
US-20180160686-A1 DIARYLAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2018-06-14 US disclosed
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 (2 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-10548316-B2 Diarylazole compound and harmful organism control agent L3MBTL1, L3MBTL3, L3MBTL4 NPC1 2264/4885RAB9A 1424/4885LMNA 2558/4885
US-20180160686-A1 DIARYLAZOLE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT L3MBTL1, L3MBTL3, L3MBTL4 NPC1 2264/4885RAB9A 1424/4885LMNA 2558/4885

“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.