SCHEMBL14896458

SCHEMBL14896458

CCn1c(N)c(C(=O)O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 8/20 0.66
HPGD P15428 3/20 0.66
POLB P06746 2/20 0.66
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EGFR P00533 1/20 0.50
RCE1 Q9Y256 1/20 0.48
MAPK1 P28482 2/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.45
AGTR1 P30556 1/20 0.44

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
SCHEMBL3212967 0.87 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL9690808 0.78 EGFR (0.68) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL7435419 0.76 KDM4E (0.72) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9198796 0.76 ALDH1A1 (0.59) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL1366502 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL11253592 0.75 CNR2 (0.57) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL28131234 0.74 ALDH1A1 (0.54) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL27443583 0.74 ALDH1A1 (0.63) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL27291872 0.74 ALDH1A1 (0.58) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL14142602 0.74 ALDH1A1 (0.78) KDM4EALDH1A1HPGDPOLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
EP-2771321-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2014-09-03 EP disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 KDM4E 229/4885ALDH1A1 772/4885HPGD 191/4885

“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.