SCHEMBL3671117

SCHEMBL3671117

OCC1CCCN1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.71
HIF1A Q16665 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
LMNA P02545 1/20 0.63
ESR1 P03372 1/20 0.63
PGR P06401 1/20 0.63
CYP3A4 P08684 1/20 0.63
PKM P14618 1/20 0.63
TSHR P16473 1/20 0.63
ADRA2B P18089 1/20 0.63
HTR2A P28223 1/20 0.63
ADRA1A P35348 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2B P41595 1/20 0.63

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
SCHEMBL13186764 1.00 KCNH2 (0.71) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13508723 1.00 KCNH2 (0.71) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13187290 0.86 KCNH2 (0.62) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13508811 0.86 KCNH2 (0.67) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13187057 0.86 KCNH2 (0.76) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13187011 0.85 KCNH2 (0.69) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13186674 0.85 KCNH2 (0.78) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13508794 0.85 KCNH2 (0.69) KCNH2HIF1ATDP1CYP1A2CYP2D6
SCHEMBL13508661 0.84 KCNH2 (0.73) KCNH2SPHK1SPHK2
SCHEMBL13186940 0.84 KCNH2 (0.73) KCNH2SPHK1SPHK2

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-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 KCNH2 4580/4885HIF1A 1947/4885TDP1 3570/4885

“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.