SCHEMBL17868753

SCHEMBL17868753

O=C(/C=C/c1ccccn1)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 3/20 0.49
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL17868754 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL11470202 0.85 KDM4E (0.50) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL11470204 0.85 KDM4E (0.50) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL6785741 0.84 KMT2A (0.54) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL3608805 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL8175156 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL30317323 0.77 NPC1 (0.62) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL11999774 0.77 NPC1 (0.62) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL692605 0.77 MEN1 (0.87) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL692499 0.77 MEN1 (0.87) ALDH1A1KMT2AMEN1LMNARAB9A

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-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT ALDH1A1 1573/4885KMT2A 2175/4885MEN1 2691/4885

“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.