SCHEMBL17898216

SCHEMBL17898216

Clc1nccc(COc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
MAPT P10636 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.43
FFAR1 O14842 1/20 0.42
KCNA3 P22001 1/20 0.42
GRM5 P41594 4/20 0.42
PDE5A O76074 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15578291 0.83 FFAR1 (0.43) KCNH2RAB9ANPC1SMN1; SMN2FFAR1
SCHEMBL20746692 0.79 KCNH2 (0.61) KCNH2CYSLTR2CYSLTR1MAPTRAB9A
SCHEMBL30212183 0.78 SMN1; SMN2 (0.41) KCNH2CYSLTR2CYSLTR1MRGPRX4RAB9A
SCHEMBL27234037 0.78 SMN1; SMN2 (0.41) KCNH2CYSLTR2CYSLTR1MRGPRX4RAB9A
SCHEMBL4569966 0.76 KCNH2 (0.75) KCNH2CYSLTR2CYSLTR1MAPTMRGPRX4
SCHEMBL29167411 0.76 KCNH2 (0.34) KCNH2CYSLTR2CYSLTR1
SCHEMBL24982790 0.76 S1PR4 (0.43) MAPTSMN1; SMN2TDP1
SCHEMBL17979331 0.75 KCNA3 (0.47) MAPTRAB9ANPC1KCNA3TSHR
SCHEMBL12042913 0.75 KCNH2 (0.56) KCNH2CYSLTR2CYSLTR1MAPTRAB9A
SCHEMBL17898221 0.75 KCNH2 (0.56) KCNH2CYSLTR2CYSLTR1MAPTRAB9A

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 3811/4885CYSLTR2 40/4885CYSLTR1 45/4885
US-10562883-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 KCNH2 3811/4885CYSLTR2 40/4885CYSLTR1 45/4885
US-10208017-B2 Heterocycles capable of modulating T-cell responses, and methods of using same ICOS, NFATC1, CD74 KCNH2 3811/4885CYSLTR2 40/4885CYSLTR1 45/4885

“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.