SCHEMBL13428589

SCHEMBL13428589

COCCNc1ncc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HCAR3 P49019 1/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 1/20 0.39
HPGD P15428 5/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.38
MET P08581 1/20 0.37
GCK P35557 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL13428585 0.88 ALDH1A1 (0.44) ALDH1A1PIM1PIM2KDM4ERAB9A
SCHEMBL13429119 0.88 HDAC1 (0.47) HPGDGLACYP1A2CYP2C19
SCHEMBL3225286 0.84 RAB9A (0.49) ALDH1A1KDM4ERAB9AHPGDL3MBTL1
SCHEMBL3225269 0.84 RAB9A (0.49) ALDH1A1KDM4ERAB9AHPGDL3MBTL1
SCHEMBL13428556 0.82 ALDH1A1 (0.46) ALDH1A1PIM2RAB9AP4HTM
SCHEMBL13428579 0.82 ALDH1A1 (0.42) ALDH1A1PIM1PIM2KDM4ERAB9A
Hydrochloric Acid SCHEMBL3227374 0.82 ALDH1A1 (0.47) ALDH1A1PIM1PIM2KDM4ERAB9A
Hydrochloric Acid SCHEMBL3227383 0.82 ALDH1A1 (0.47) ALDH1A1PIM1PIM2KDM4ERAB9A
SCHEMBL13428582 0.82 KMT2A (0.48) ALDH1A1RAB9AMETHTR2CKMT2A
SCHEMBL13428483 0.81 CCNB2 (0.41) ALDH1A1HCAR3KDM4ERAB9AHPGD

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 ALDH1A1 1516/4885PIM1 4321/4885PIM2 4195/4885

“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.