SCHEMBL17157352

SCHEMBL17157352

Clc1ccc(-c2ccc(Br)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 3/20 0.44
EGLN1 Q9GZT9 2/20 0.42
MAP4K4 O95819 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
TNIK Q9UKE5 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
AHR P35869 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL29740319 0.84 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL787481 0.84 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL29844469 0.82
SCHEMBL132151 0.82
SCHEMBL16520501 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL1742300 0.78 PIK3CD (0.61) LTA4HNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30930597 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL584462 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL15901316 0.76 METAP2 (0.38) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2824810 0.76 PDGFRB (0.40) NPC1RAB9ASMN1; SMN2MAP4K4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-18 US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 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 (3 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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM LTA4H 845/4885NPC1 799/4885RAB9A 2842/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM LTA4H 845/4885NPC1 799/4885RAB9A 2842/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM LTA4H 845/4885NPC1 799/4885RAB9A 2842/4885

“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.