SCHEMBL4599573

SCHEMBL4599573

CCC(=O)Nc1cccc(CN)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
POLB P06746 1/20 0.63
NR4A1 P22736 1/20 0.63
GAA P10253 3/20 0.61
CFD P00746 1/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4599428 0.87 MAPT (0.58) GAACFDMAPTALDH1A1TP53
SCHEMBL9410518 0.86 MAPT (0.69) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL3815593 0.85 RAB9A (0.65) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL8030342 0.85 CFD (0.60) GAACFDKMT2AMEN1MAPT
SCHEMBL28325559 0.84 HDAC3 (0.62) RAB9APOLBCFDKMT2AMEN1
SCHEMBL27119355 0.84 CA1 (0.61) RAB9APOLBNR4A1GAACFD
SCHEMBL10970617 0.84 RAB9A (0.85) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL24690443 0.83 POLB (0.63) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL27641823 0.83 CFD (0.58) GAACFDKMT2AMEN1MAPT
SCHEMBL28041453 0.83 NPSR1 (0.59) RAB9APOLBGAACFDLMNA

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
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US 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 (2 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 RAB9A 1690/4885POLB 2996/4885NR4A1 2210/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 RAB9A 638/4885POLB 4688/4885NR4A1 4620/4885

“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.