SCHEMBL4599065

SCHEMBL4599065

CCCC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
MCHR1 Q99705 1/20 0.57
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
DUSP3 P51452 1/20 0.56
F2R P25116 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL15480392 0.89 LMNA (0.58) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL18025117 0.88 F2R (0.66) KMT2ASMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL31703230 0.88 LMNA (0.63) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL934088 0.88 LMNA (0.67) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4085439 0.86 NPC1 (0.57) SMN1; SMN2MAPK1ALDH1A1MAPTNPC1
SCHEMBL10975643 0.84 F2R (0.73) ALDH1A1MAPTRAB9AF2RMTNR1B
SCHEMBL20777931 0.82 SOAT2 (0.67) LMNAKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL31703086 0.81 LMNA (0.67) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4007314 0.81 LMNA (0.67) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL12354778 0.81 LMNA (0.67) LMNAKMT2ASMN1; SMN2L3MBTL1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 LMNA 292/4885KMT2A 2453/4885SMN1; SMN2 4597/4885

“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.