SCHEMBL18965859

SCHEMBL18965859

CN(C(=O)c1ccc(CNc2nc3ccc(NC4COC4)cc3n2C)cc1)c1ccc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
FLT3 P36888 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL18965854 0.85 F10 (0.46) KMT2ASMN1; SMN2NPC1RAB9AFLT3
SCHEMBL18960439 0.84 NPC1 (0.44) KMT2ASMN1; SMN2NPC1RAB9ADRD2
SCHEMBL18963657 0.81 MCHR1 (0.43) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL18965949 0.81 NPC1 (0.43) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL17488139 0.80 NPC1 (0.43) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL17488173 0.80 CYP3A4 (0.48) KMT2ASMN1; SMN2NPC1RAB9AP2RX3
SCHEMBL18965614 0.80 CYP3A4 (0.42) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL18965766 0.78 NPC1 (0.50) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL18965925 0.78 NPC1 (0.41) KMT2ASMN1; SMN2NPC1RAB9ACDK2
SCHEMBL17488150 0.77 NPC1 (0.39) KMT2ASMN1; SMN2NPC1RAB9ACDK2

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-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 KMT2A 4213/4885SMN1; SMN2 3381/4885NPC1 2764/4885

“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.