SCHEMBL17488140

SCHEMBL17488140

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(Nc3cc(C(C)(C)C)[nH]n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.35
KDR P35968 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
MCHR1 Q99705 1/20 0.34
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
RET P07949 1/20 0.33
TP53 P04637 1/20 0.33
IGF1R P08069 1/20 0.33
P2RX3 P56373 2/20 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
SCHEMBL17487851 0.93 NPC1 (0.39) PIK3C3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488046 0.92 LMNA (0.40) PIK3C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17488243 0.89 PLK4 (0.42) PIK3C3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18965885 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488331 0.85 LMNA (0.39) PIK3C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18965961 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965787 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL18965877 0.83 TP53 (0.39) PIK3C3NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL17488022 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488019 0.83 PLK4 (0.42) NPC1RAB9ASMN1; SMN2KMT2ARET

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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 PIK3C3 4729/4885NPC1 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.