SCHEMBL14148444

SCHEMBL14148444

CC(=N/N=c1\ccccn1CCO)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.39
AGTR1 P30556 3/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TOP2A P11388 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 2/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL14104344 0.74
Bromide SCHEMBL4807908 0.73
SCHEMBL14104347 0.73 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL14338152 0.72
SCHEMBL1256130 0.72 KDM4E (0.73) RAB9ANPC1SMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL5228745 0.71 CA1 (0.32) RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL1152262 0.70 CA1 (0.31) RAB9ANPC1KDM4E
SCHEMBL839455 0.70 KDM4E (0.42) RAB9ANPC1KDM4E
SCHEMBL19449243 0.70 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL14370733 0.69 CA1 (0.33) KDM4EGAA

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-7399320-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-07-15 US disclosed
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-04-24 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-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds KRT18, TUBA4A, TUBB4A RAB9A 3045/4885NPC1 4393/4885SMN1; SMN2 3812/4885

“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.