SCHEMBL3699044

SCHEMBL3699044

Cn1c(Nc2ccncc2C(F)(F)F)nc2c(C(=O)Nc3ccc(Br)cc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
HDAC11 Q96DB2 1/20 0.40
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 4/20 0.38
AURKA O14965 3/20 0.38
AURKB Q96GD4 2/20 0.38
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL3703558 0.80 NAMPT (0.48) HDAC11NPC1RAB9APTGES
SCHEMBL1971859 0.67 HDAC6 (0.51) NPC1RAB9AMAPTPTGES
SCHEMBL3699036 0.67 NAMPT (0.53) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1969564 0.67 HDAC6 (0.47) HDAC11SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1968717 0.66 HDAC6 (0.48) HDAC11SMN1; SMN2NPC1RAB9APTGES
SCHEMBL16318475 0.66 PTGES (0.49) KDRPTGES
SCHEMBL16318457 0.66 PTGES (0.49) SMN1; SMN2MAPTNPSR1PTGES
SCHEMBL1966582 0.66 PTGES (0.49) KDRSMN1; SMN2MAPTPTGES
SCHEMBL1971677 0.65 HDAC6 (0.49) HDAC11SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13393116 0.65 PTGES (0.53) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 FLT1 1486/4885KDR 1562/4885HDAC11 200/4885

“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.