SCHEMBL13428467

SCHEMBL13428467

O=C(CNc1ncc(CO)cc1Cl)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
EPHX2 P34913 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRMT3 O60678 1/20 0.40
CNR1 P21554 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
SCHEMBL8185542 0.86 EPHX2 (0.40) POLBEPHX2NPC1RAB9ALMNA
SCHEMBL13428482 0.83 LMNA (0.45) POLBEPHX2HPGDNPC1RAB9A
SCHEMBL13428568 0.80 HPGD (0.40) POLBEPHX2HPGDNPC1RAB9A
SCHEMBL13428463 0.78 MEN1 (0.43) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13429153 0.78 CYP1A2 (0.45) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13428807 0.78 L3MBTL1 (0.48) POLBSMN1; SMN2LMNAKMT2ATDP1
SCHEMBL27677723 0.78 KMT2A (0.42) KMT2A
SCHEMBL13428499 0.72 P2RX3 (0.35) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13428471 0.71 CA12 (0.45) POLBHPGDNPC1RAB9ALMNA
SCHEMBL4221845 0.69 JAK3 (0.42) EPHX2

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 POLB 580/4885EPHX2 691/4885HPGD 302/4885

“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.