SCHEMBL17898221

SCHEMBL17898221

C=Cc1nccc(COc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNA3 P22001 1/20 0.38
GRM5 P41594 3/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP19A1 P11511 1/20 0.37
HPGD P15428 1/20 0.37
PDE5A O76074 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL17898214 0.75 KCNH2 (0.52) KCNH2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17898216 0.75 KCNH2 (0.61) KCNH2CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL20746692 0.75 KCNH2 (0.61) KCNH2CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL24738820 0.72 CCR1 (0.39)
SCHEMBL9070196 0.72 CYP1A2 (0.33)
SCHEMBL29879481 0.72 CCR1 (0.39)
SCHEMBL12042913 0.71 KCNH2 (0.56) KCNH2CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL30212206 0.70 KCNH2 (0.54) KCNH2CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL12042917 0.69 KCNH2 (0.53) KCNH2CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL20381536 0.68 GAA (0.32)

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 3 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-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 (2 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

“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.