SCHEMBL21793243

SCHEMBL21793243

CN(C(N)=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
IP6K1 Q92551 1/20 0.40
KDM4E B2RXH2 6/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
PRKCI P41743 1/20 0.37
AR P10275 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1725155 0.86 RAB9A (0.44) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL21794838 0.82 ROCK2 (0.47) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL3795673 0.79 IP6K1 (0.56) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL31361978 0.79 IP6K1 (0.56) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL1725150 0.74 RAB9A (0.53) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL16643967 0.73 IP6K1 (0.40) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL476588 0.72 AR (0.52) RAB9AKMT2AMEN1KDM4EMAPT
SCHEMBL3727867 0.72 HDAC6 (0.45) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL15552412 0.72 RAB9A (0.44) RAB9AKMT2AMEN1NPC1IP6K1
SCHEMBL19994497 0.71 KDM4E (0.49) RAB9AKMT2AMEN1NPC1KDM4E

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
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS RAB9A 1639/4885KMT2A 1698/4885MEN1 2239/4885

“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.