SCHEMBL21892100

SCHEMBL21892100

CC(=O)Nc1cccc(/C=C/C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 5/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 4/20 0.54
ATM Q13315 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.52
NTSR1 P30989 1/20 0.52
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50

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
SCHEMBL3203883 0.86 PKM (0.68) MAPTLMNARAB9ATP53NPC1
SCHEMBL3203877 0.86 PKM (0.68) MAPTLMNARAB9ATP53NPC1
SCHEMBL10895023 0.83 SIRT2 (0.57) MAPTLMNARAB9ATP53NPC1
SCHEMBL17680839 0.82 ALDH1A1 (0.56) MAPTLMNARAB9ATP53NPC1
SCHEMBL27340748 0.80 MAPT (0.62) MAPTLMNARAB9ATP53NPC1
SCHEMBL7188121 0.79 ALDH1A1 (0.53) MAPTLMNARAB9ATP53NPC1
SCHEMBL4398128 0.79 NPSR1 (0.55) MAPTLMNASMN1; SMN2ALDH1A1RECQL
SCHEMBL4665329 0.79 TTR (0.55) MAPTLMNARAB9ATP53NPC1
SCHEMBL6952794 0.79 MAPT (0.52) MAPTLMNARAB9ATP53NPC1
SCHEMBL4665327 0.79 TTR (0.55) MAPTLMNARAB9ATP53NPC1

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-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 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-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT MAPT 1764/4885LMNA 1385/4885RAB9A 179/4885

“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.