SCHEMBL2053852

SCHEMBL2053852

CCCCCc1cn2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.52
ALDH1A1 P00352 14/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 3/20 0.48
RCE1 Q9Y256 1/20 0.48
RECQL P46063 1/20 0.48
GAA P10253 3/20 0.47
GLA P06280 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE10A Q9Y233 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9946224 0.89 KDM4E (0.56) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL8352732 0.82 KDM4E (0.59) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL538320 0.79 KDM4E (0.56) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL2053853 0.76 KCNH2 (0.47) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL10205883 0.76 KDM4E (0.50) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL21099837 0.75 KDM4E (0.52) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL9597409 0.75 KDM4E (0.58) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL9569958 0.75 KDM4E (0.58) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL2813856 0.75 KDM4E (0.58) KDM4EALDH1A1PKMHPGDRAB9A
SCHEMBL12309221 0.75 KDM4E (0.58) KDM4EALDH1A1PKMHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 US disclosed
EP-2254640-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2010-12-01 EP disclosed
WO-2009105484-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2009-08-27 WO disclosed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 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-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C KDM4E 3266/4885ALDH1A1 4513/4885PKM 3478/4885

“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.