SCHEMBL3047813

SCHEMBL3047813

FC(F)(F)c1nc2ccccn2c1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 4/20 0.43
GLA P06280 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 2/20 0.38
MMP12 P39900 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 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
Hydrochloric Acid SCHEMBL3047019 0.98 KDM4E (0.46) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL3048268 0.84 KDM4E (0.59) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL15720064 0.81 MMP12 (0.48) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL21863415 0.76 HSD17B10 (0.51) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL23531032 0.75 KDM4E (0.45) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL18100968 0.75 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL10012248 0.75 HSD17B10 (0.50) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL20138279 0.75 KDM4E (0.51) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL8353515 0.74 HSD17B10 (0.46) KDM4EHSD17B10ALDH1A1NPC1GAA
SCHEMBL3050995 0.74 ALDH1A1 (0.55) KDM4EHSD17B10ALDH1A1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 KDM4E 2903/4885HSD17B10 1091/4885ALDH1A1 1186/4885

“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.