SCHEMBL11952853

SCHEMBL11952853

N#Cc1ccc(-c2cn(-c3ccc(O)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.51
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NLRP3 Q96P20 1/20 0.47
MAP4K4 O95819 1/20 0.46
GRM5 P41594 1/20 0.43
VCP P55072 1/20 0.42
CHEK1 O14757 1/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CYP19A1 P11511 3/20 0.39
PTGS1 P23219 1/20 0.39
OTUD7B Q6GQQ9 1/20 0.38
ESRRB O95718 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
SCHEMBL10664108 0.92 NPC1 (0.53) MMP3NPC1RAB9ANLRP3MAP4K4
SCHEMBL12871320 0.87 NPC1 (0.57) NPC1RAB9ANLRP3MAP4K4PTGS1
SCHEMBL10670239 0.85 NPC1 (0.66) NPC1RAB9ANLRP3MAP4K4GRM5
SCHEMBL10316090 0.85 NPC1 (0.56) NPC1RAB9ANLRP3MAP4K4GRM5
SCHEMBL4549454 0.85 NPC1 (0.65) NPC1RAB9ANLRP3MAP4K4GRM5
SCHEMBL1260302 0.82 KIF11 (0.55) NPC1RAB9ANLRP3MAP4K4GRM5
SCHEMBL19244581 0.80 MAP4K4 (0.52) CA3CA6CA14NPC1RAB9A
SCHEMBL1259354 0.80 TSHR (0.46) NPC1RAB9ANLRP3MAP4K4GRM5
SCHEMBL27544953 0.80 NPC1 (0.71) MMP3NPC1RAB9ANLRP3MAP4K4
SCHEMBL1259308 0.79 SCN5A (0.46) CA12CA2CA9NPC1RAB9A

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-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC MMP3 3009/4885CA12 3121/4885CA2 392/4885

“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.