SCHEMBL9995277

SCHEMBL9995277

Clc1nc2ccccc2n1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
PTGS2 P35354 1/20 0.41
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL4095150 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL12730136 0.85 MAPK1 (0.61) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL18731715 0.83 ESR1 (0.54) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL4083024 0.83 L3MBTL1 (0.56) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL20603917 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL9995179 0.79 NPC1 (0.52) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL338236 0.79 MAPK1 (0.74) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL4088062 0.79 SLC22A12 (0.55) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL4096979 0.79 RPS6KB1 (0.54) SMN1; SMN2MAPK1HTTLMNARAB9A
SCHEMBL12912570 0.78 ESR2 (0.65) MAPK1HTTESR1ESR2GALR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582680-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
US-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-11 US disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2011157787-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 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-20130090342-A1 BIPHENYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 SMN1; SMN2 552/4885MAPK1 662/4885HTT 1003/4885

“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.