SCHEMBL13428456

SCHEMBL13428456

O=C(CNc1ncc(CO)cc1Cl)NCCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
EPHX2 P34913 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
SCHEMBL13428471 0.89 CA12 (0.45) HPGDKMT2ACNR1NPC1RAB9A
SCHEMBL8179128 0.87 HPGD (0.44) HPGDKDM4EKMT2ATDP1NPC1
SCHEMBL13428528 0.86 LMNA (0.44) HPGDKDM4EKMT2ATDP1CNR1
SCHEMBL13428583 0.82 AKR1C3 (0.46) HPGDKDM4EKMT2ATDP1CNR1
SCHEMBL13429156 0.81 HDAC1 (0.52) KMT2ALMNAGAA
SCHEMBL13428812 0.81 P2RY12 (0.51) HPGDKMT2AALDH1A1LMNA
SCHEMBL3228333 0.77 ALDH1A1 (0.41) KDM4EKMT2ATDP1NPC1RAB9A
SCHEMBL8184323 0.75 CA12 (0.45) HPGDKMT2ARAB9AALDH1A1LMNA
SCHEMBL13428475 0.74 CA12 (0.44) HPGDKMT2ACNR1NPC1RAB9A
SCHEMBL13428454 0.73 DRD2 (0.44) KMT2ANPC1RAB9ANFKB1NFKB2

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 HPGD 302/4885KDM4E 253/4885KMT2A 31/4885

“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.