SCHEMBL21998495

SCHEMBL21998495

O=C(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
PKM P14618 6/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.62
PLIN1 O60240 1/20 0.62
PLIN5 Q00G26 1/20 0.62
ABHD5 Q8WTS1 1/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
GAA P10253 1/20 0.62
SNCA P37840 1/20 0.54
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GRM4 Q14833 2/20 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
SCHEMBL21933277 0.84 NPC1 (0.76) NPC1RAB9APKMMAPTKDM4E
SCHEMBL21994188 0.84 RAB9A (0.61) NPC1RAB9APKMMAPTKDM4E
SCHEMBL21933265 0.79 MAPT (0.59) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21998492 0.78 SMN1; SMN2 (0.62) NPC1RAB9APKMMAPTKDM4E
SCHEMBL21998502 0.78 MAPT (0.49) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21994187 0.78 MEN1 (0.52) NPC1RAB9APKMMAPTKDM4E
SCHEMBL21998494 0.77 NPC1 (0.55) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21998480 0.77 EPHX2 (0.70) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21996658 0.75 NPC1 (0.56) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21998496 0.75 NPC1 (0.53) NPC1RAB9AMAPTKDM4EMEN1

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-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 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 (2 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 NPC1 1617/4885RAB9A 3348/4885PKM 3612/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L NPC1 1139/4885RAB9A 2916/4885PKM 3911/4885

“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.