SCHEMBL4599743

SCHEMBL4599743

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KCNJ6 P48051 1/20 0.53
KCNJ5 P48544 1/20 0.53
KCNJ3 P48549 1/20 0.53
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GRM4 Q14833 1/20 0.49
CCR5 P51681 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL4610082 0.85 ALDH1A1 (0.60) KMT2AMAPTMEN1ALDH1A1KCNJ6
SCHEMBL14035806 0.82 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1KCNJ6
SCHEMBL19472695 0.81 MAOB (0.48) KMT2AMAPTMEN1ALDH1A1KCNJ6
SCHEMBL4598772 0.80 MCHR1 (0.55) KMT2AMAPTMEN1ALDH1A1KCNJ6
SCHEMBL4599032 0.79 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1PDK1
SCHEMBL171190 0.77 ALDH1A1 (0.66) KMT2AMAPTMEN1ALDH1A1PDK1
SCHEMBL30368222 0.77 ALDH1A1 (0.66) KMT2AMAPTMEN1ALDH1A1PDK1
SCHEMBL18197715 0.77 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1PDK1
SCHEMBL18602228 0.77 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1PDK1
SCHEMBL31703229 0.77 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1PDK1

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-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 KMT2A 2453/4885MAPT 1601/4885MEN1 2273/4885

“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.