SCHEMBL18960460

SCHEMBL18960460

Cn1c(NCc2cc(Cl)c(Oc3ncc(Cl)cn3)cc2Cl)nc2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 4/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 5/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
LCK P06239 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL17487993 0.86 RAB9A (0.43) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488127 0.82 TP53 (0.36) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL18960426 0.81 NPC1 (0.48) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL18960449 0.81 GAA (0.42) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL17488312 0.80 RAB9A (0.41) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17487830 0.80 MEN1 (0.40) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL17488270 0.80 NPC1 (0.37) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL18960456 0.80 NPC1 (0.42) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488267 0.80 CYP3A4 (0.40) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL18960459 0.79 NPC1 (0.36) TP53NPC1RAB9APKMSMN1; SMN2

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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 (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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 TP53 2004/4885NPC1 2764/4885RAB9A 3982/4885

“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.