SCHEMBL13428471

SCHEMBL13428471

O=C(CNc1ncc(CO)cc1Cl)NCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CNR1 P21554 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.40
VNN1 O95497 1/20 0.40

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
SCHEMBL13428456 0.89 HPGD (0.44) LMNARAB9ANPC1NFKB1NFKB2
SCHEMBL8184323 0.86 CA12 (0.45) CA12CA1CA2CA7LMNA
SCHEMBL13428475 0.85 CA12 (0.44) CA12CA1CA2CA7LMNA
SCHEMBL13428572 0.81 AKR1C3 (0.44) CA12CA1CA2CA7LMNA
SCHEMBL13429151 0.80 HDAC6 (0.46) HPGD
SCHEMBL13428802 0.80 P2RY12 (0.59) CA12CA1CA2CA7LMNA
SCHEMBL3228333 0.79 ALDH1A1 (0.41) LMNARAB9ANPC1NFKB1NFKB2
SCHEMBL8179128 0.75 HPGD (0.44) CA12CA1CA2LMNARAB9A
SCHEMBL13428528 0.74 LMNA (0.44) LMNARAB9ANPC1KMT2ACNR1
SCHEMBL8179581 0.74 CA12 (0.44) CA12CA1CA2CA7LMNA

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 CA12 2673/4885CA1 2277/4885CA2 2611/4885

“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.