SCHEMBL15522286

SCHEMBL15522286

Nc1ncc(Cc2cccc(F)c2Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL2199654 1.00 EPHX2 (0.44) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL3134408 0.85 KMT2A (0.56) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL963467 0.84 EPHX2 (0.49) EPHX2POLBMAPTALDH1A1HTT
SCHEMBL2199658 0.81 KMT2A (0.53) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL2200947 0.79 TAAR1 (0.46) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL231018 0.78 POLB (0.52) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL2201618 0.78 POLB (0.52) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL16406391 0.76 EPHX2 (0.50) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL15522380 0.73 HSD17B10 (0.49) EPHX2KMT2AMEN1POLBMAPT
SCHEMBL2202151 0.73 HSD17B10 (0.49) EPHX2KMT2AMEN1POLBMAPT

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-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-20140080825-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140080825-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 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-20140080825-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 EPHX2 2148/4885KMT2A 4344/4885MEN1 4698/4885

“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.