SCHEMBL6103152

SCHEMBL6103152

O=Cc1cc(Br)ccc1N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.49
ALDH1A1 P00352 14/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ERN1 O75460 1/20 0.46
MAPT P10636 7/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL6104382 1.00 ALDH1A3 (0.49) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL6103643 1.00 ALDH1A3 (0.49) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL6104298 0.98 ALDH1A1 (0.49) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL4471820 0.86 ALDH1A1 (0.47) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL3688200 0.85 ALDH1A1 (0.41) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL4528462 0.84 ALDH1A1 (0.49) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL3686814 0.83 HTT (0.44) ALDH1A1SMN1; SMN2ERN1MAPTMEN1
SCHEMBL6102716 0.83 ALDH1A1 (0.61) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL29914855 0.83 ALDH1A1 (0.61) ALDH1A3ALDH1A1SMN1; SMN2ERN1MAPT
SCHEMBL29964936 0.83 ERN1 (0.43) ALDH1A3ALDH1A1SMN1; SMN2ERN1KDM4E

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
US-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 ALDH1A3 3397/4885ALDH1A1 1414/4885SMN1; SMN2 2871/4885

“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.