SCHEMBL20249708

SCHEMBL20249708

Cc1cc(F)ccc1-n1ccc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.40
RXRA P19793 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HCAR1 Q9BXC0 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDO2 P48775 1/20 0.34
HTR7 P34969 1/20 0.34
TLR8 Q9NR97 1/20 0.34
P2RX7 Q99572 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL29571818 0.83 ALDH1A1 (0.41) L3MBTL1RAB9AMEN1NPC1KMT2A
SCHEMBL16201981 0.83 MAPT (0.53) CRHR1RXRAGRIN1GRIN2BL3MBTL1
SCHEMBL2357923 0.83 ALDH1A1 (0.41) L3MBTL1RAB9AMEN1NPC1KMT2A
SCHEMBL27859366 0.80 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL2359645 0.79 L3MBTL1 (0.41) RXRAGRIN1GRIN2BL3MBTL1MEN1
SCHEMBL29572188 0.79 L3MBTL1 (0.41) RXRAGRIN1GRIN2BL3MBTL1MEN1
SCHEMBL168701 0.77 SCN9A (0.40) CRHR1RXRAGRIN1GRIN2BL3MBTL1
SCHEMBL13662869 0.77 ALDH1A1 (0.39) L3MBTL1RAB9AMEN1NPC1KMT2A
SCHEMBL5958591 0.75 ADORA3 (0.44) RAB9AKMT2AALDH1A1KDM4EGAA
SCHEMBL29571936 0.75 ADORA3 (0.44) RAB9AKMT2AALDH1A1KDM4EGAA

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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 US disclosed
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO 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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A CRHR1 2047/4885RXRA 271/4885GRIN1 2498/4885

“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.