SCHEMBL4494836

SCHEMBL4494836

CCCC1CCCN(C(=O)N(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL24449562 0.90 MAPT (0.51) MAPTGAARAB9ANPC1ALDH1A1
SCHEMBL13783472 0.87 GAA (0.45) MAPTGAARAB9ANPC1ALDH1A1
SCHEMBL20809148 0.83 MAPT (0.41) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL4494838 0.81 POLB (0.41) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL4407103 0.81 GAA (0.43) MAPTGAARAB9ANPC1ALDH1A1
SCHEMBL4479813 0.80 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL20937675 0.80 MEN1 (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14813742 0.80 LMNA (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12945380 0.77 ALDH1A1 (0.41) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL21426176 0.77 HSD11B1 (0.40) MAPTALDH1A1MEN1KMT2ASMN1; 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPT 4633/4885GAA 2424/4885RAB9A 2487/4885

“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.