SCHEMBL17898217

SCHEMBL17898217

Clc1nccc(CCc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
NOS1 P29475 1/20 0.42
DHFR P00374 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PIN1 Q13526 2/20 0.38
FFAR1 O14842 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL265376 0.83 ALDH1A1 (0.47) KCNH2CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL9096133 0.78 KCNH2 (0.57) KCNH2NOS1DHFRCYP2D6BACE1
SCHEMBL752089 0.78 KCNH2 (0.57) KCNH2NOS1DHFRKDM4ECYP1A2
SCHEMBL5258991 0.77 FFAR1 (0.36) KCNH2DHFRCCNCCDK8CYP1A2
SCHEMBL2013407 0.75 FFAR1 (0.32) KCNH2FFAR1MAPTSMN1; SMN2
SCHEMBL27621059 0.75 FFAR1 (0.32) KCNH2FFAR1
SCHEMBL2018150 0.75 RECQL (0.35) KCNH2FFAR1
SCHEMBL5674666 0.74 KCNH2 (0.52) KCNH2NOS1ESR1ESR2BACE1
SCHEMBL17820575 0.74
SCHEMBL990352 0.74 KCNH2 (0.52) KCNH2NOS1CYP1A2CYP2D6FFAR1

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-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2020-02-18 US disclosed
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same NOGRA PHARMA LIMITED (IE) 2019-02-19 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 US disclosed
US-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2016-07-07 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 (3 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-20160194303-A1 HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME ICOS, NFATC1, CD74 KCNH2 3811/4885NOS1 2111/4885DHFR 123/4885
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 KCNH2 3811/4885NOS1 2111/4885DHFR 123/4885
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 KCNH2 3811/4885NOS1 2111/4885DHFR 123/4885

“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.