SCHEMBL4905938

SCHEMBL4905938

NCCCCCNC(=O)CN1C(=O)[C@H](N)[C@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 4/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4905921 0.90 NPC1 (0.47) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4906630 0.82 NPC1 (0.43) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4896735 0.82 NPC1 (0.43) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL3349518 0.80 ALDH1A1 (0.49) NPC1RAB9AALDH1A1L3MBTL1TSHR
SCHEMBL4905790 0.77 TDP1 (0.53) LMNAL3MBTL1KMT2AMEN1
SCHEMBL4908073 0.77 TSHR (0.51) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4905536 0.75 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4905521 0.75 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4906618 0.73 NPC1 (0.43) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL4896724 0.73 NPC1 (0.43) NPC1RAB9AALDH1A1LMNASMN1; 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-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 NPC1 398/4885RAB9A 3398/4885ALDH1A1 1417/4885

“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.