SCHEMBL20249061

SCHEMBL20249061

CCSc1cc(C(F)(F)F)ccc1-n1cc(-c2ccc(C)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
P2RY14 Q15391 9/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT3 P36888 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TSPO P30536 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 2/20 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
SCHEMBL18328169 0.87 ABCG2 (0.42) PTGS2P2RY14MGAMGAASI
SCHEMBL20249064 0.81 PTGS2 (0.47) PTGS2P2RY14MGAMGAASI
SCHEMBL20249065 0.79 PTGS2 (0.49) PTGS2P2RY14MGAMGAASI
SCHEMBL20249059 0.79 NPC1 (0.41) GAANPC1LMNANFKB1RAB9A
SCHEMBL29624418 0.78 KEAP1 (0.46) ABCG2CA12CA9MEN1KMT2A
SCHEMBL20526107 0.78 KEAP1 (0.46) ABCG2CA12CA9MEN1KMT2A
SCHEMBL20526096 0.77 ABCG2 (0.40) PTGS2P2RY14FLT3ABCG2CA12
SCHEMBL23302323 0.77 RXRA (0.37) LMNA
SCHEMBL16867099 0.74 DDR1 (0.36) NPC1LMNANFKB1RAB9ANFKB2
SCHEMBL18327913 0.74 NPC1 (0.43) GAANPC1LMNANFKB1RAB9A

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 PTGS2 4461/4885P2RY14 2505/4885MGAM 2082/4885

“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.