SCHEMBL13428496

SCHEMBL13428496

CN(Cc1ccc(F)cc1)C(=O)CNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NOS2 P35228 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AOC3 Q16853 1/20 0.33
TGFBR1 P36897 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM1A O60341 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL13428521 0.86 KDM4E (0.37) POLBRAB9AMAPTALDH1A1LMNA
SCHEMBL13428546 0.85 MAPT (0.38) NPC1POLBRAB9AMAPTLMNA
SCHEMBL13428544 0.84 ALDH1A1 (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13428514 0.82 KMT2A (0.37) MAPTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL13429148 0.81 HDAC6 (0.46) MAPTNOS2KDM1AGAA
SCHEMBL13428541 0.81 SSTR3 (0.35) MAPTALDH1A1LMNAKMT2ATGFBR1
SCHEMBL13428569 0.81 AOC3 (0.41) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13428566 0.81 CCNA2 (0.35) NPC1RAB9AALDH1A1KMT2AL3MBTL1
SCHEMBL4223490 0.79 MCHR1 (0.41) KMT2AKDM1A
SCHEMBL4223498 0.79 MCHR1 (0.41) KMT2AKDM1A

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 NR1H4 1923/4885NPC1 4152/4885POLB 580/4885

“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.