SCHEMBL17563306

SCHEMBL17563306

Cc1cccc(-n2cc(C(=O)C(C)C)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
HPGDS O60760 1/20 0.48
ALKBH2 Q6NS38 1/20 0.48
KCNT1 Q5JUK3 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MLLT3 P42568 1/20 0.42

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
SCHEMBL15930134 0.86 HPGDS (0.48) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL29544523 0.84 ALKBH2 (0.69) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL17365305 0.84 MAPT (0.53) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL2854056 0.84 ALKBH2 (0.69) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL17321468 0.84 ALKBH2 (0.68) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL17321476 0.84 MEN1 (0.54) MAPTHPGDSALKBH2PTGDR2NPC1
SCHEMBL5110176 0.75 L3MBTL1 (0.46) MAPTHPGDHTTNPC1KDM4E
SCHEMBL31517348 0.75 MAPT (0.52) MAPTHPGDHTTHPGDSALKBH2
SCHEMBL13034800 0.75 SMO (0.48) MAPTHPGDKCNT1KDM4EALDH1A1
SCHEMBL23403693 0.74 GAA (0.62) MAPTHPGDHTTKCNT1NPC1

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-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 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-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPT 496/4885HPGD 2470/4885HTT 2579/4885

“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.