SCHEMBL21769462

SCHEMBL21769462

CN(C)CCOc1ncccc1C(=O)N1CCN(C2c3ccccc3-c3ncccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL21769528 0.95 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPK1NPSR1
SCHEMBL21769246 0.92 FNTA (0.43) ALDH1A1MAPK1NPSR1FNTAFNTB
SCHEMBL21769409 0.87 KDM4E (0.40) ALDH1A1MAPK1NPSR1FNTAFNTB
SCHEMBL21769491 0.87 FNTA (0.41) ALDH1A1FNTAFNTBSMN1; SMN2KDM4E
SCHEMBL21769485 0.87 FNTA (0.41) ALDH1A1FNTAFNTBSMN1; SMN2KDM4E
SCHEMBL21769249 0.85 MAPT (0.41) ALDH1A1MAPK1NPSR1FNTAFNTB
SCHEMBL21769498 0.85 HSD17B10 (0.40) ALDH1A1KMT2AMEN1NPSR1FNTA
SCHEMBL21769530 0.85 ESR1 (0.44) ALDH1A1KMT2AMEN1MAPK1FNTA
SCHEMBL21769463 0.83 KDM4E (0.44) ALDH1A1NPSR1SMN1; SMN2KDM4ECYP2C9
SCHEMBL21440788 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1SMN1; SMN2KDM4EUSP2

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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KMT2A 4291/4885MEN1 1178/4885

“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.