SCHEMBL14850474

SCHEMBL14850474

Cc1ccccc1Nc1ccc(Br)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SLC2A1 P11166 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42

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
SCHEMBL21386623 0.81 RAB9A (0.51) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL9995147 0.79 MAPK10 (0.50) NPC1RAB9ATP53MAPK1MAPK10
SCHEMBL4068824 0.79 MAPK10 (0.50) NPC1RAB9AMAPK1MAPK10SMN1; SMN2
SCHEMBL12067104 0.79 ALDH1A1 (0.46) NPC1RAB9ATP53MAPK1MAPK10
SCHEMBL31241078 0.79 SMN1; SMN2 (0.67) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL355054 0.77 ALDH1A1 (0.50) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL21386707 0.76 MAPK10 (0.46) MAPK1MAPK10LMNAKDM4ESLC2A1
SCHEMBL17107923 0.75 MAPK10 (0.53) TP53MAPK1MAPK10LMNASLC2A1
SCHEMBL11563643 0.74 HCAR3 (0.65) LMNAKDM4EMEN1KMT2A
SCHEMBL22840676 0.74 NPC1 (0.46) NPC1RAB9ATP53MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 NPC1 1903/4885RAB9A 2907/4885TP53 1856/4885

“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.