SCHEMBL5458735

SCHEMBL5458735

Cn1c(N)nc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SCN4A P35499 2/20 0.49
SCN9A Q15858 2/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
SLC6A2 P23975 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL5456024 0.81 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL5470441 0.77 MAPT (0.70) NPC1RAB9ATP53CYP1A2CYP3A4
SCHEMBL2360807 0.76 CACNA1D (0.52) SCN4ATP53CYP1A2CYP3A4CYP2C9
SCHEMBL4401590 0.76 MEN1 (0.54) NPC1RAB9ASMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL5809665 0.75 BRD4 (0.41) NPC1RAB9ASMN1; SMN2SCN4ASCN9A
SCHEMBL2857719 0.74 MEN1 (0.44) NPC1RAB9AHSD17B10MAPTALDH1A1
Hydrochloric Acid SCHEMBL5809663 0.73 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TP53CYP3A4
SCHEMBL2734327 0.73 KDM4E (0.52) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL30914192 0.73 KMT2A (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL23361964 0.72 POLB (0.69) SMN1; SMN2BRD4MAPTALDH1A1POLB

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 NPC1 234/4885RAB9A 1111/4885SMN1; SMN2 824/4885

“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.