SCHEMBL4945665

SCHEMBL4945665

N[C@H](CCc1ccccc1)C(=O)Nc1ccc2cccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 2/20 0.49
NOTUM Q6P988 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
P2RY14 Q15391 2/20 0.46
LTA4H P09960 3/20 0.45
PABPC1 P11940 1/20 0.44
LNPEP Q9UIQ6 2/20 0.44
ERAP2 Q6P179 1/20 0.44
BAZ1A Q9NRL2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL4950399 0.91 PABPC1 (0.56) ROCK2ROCK1NOTUMMEN1KMT2A
SCHEMBL4952958 0.87 ROCK2 (0.53) ROCK2ROCK1NOTUMMEN1KMT2A
SCHEMBL1245488 0.85 HDAC1 (0.46) ROCK2NOTUMTRPV1MEN1KMT2A
SCHEMBL4952893 0.81 NPC1 (0.52) NOTUMMEN1KMT2APABPC1HDAC6
SCHEMBL1105174 0.80 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL1245420 0.79 RAB9A (0.56) ROCK2ROCK1TRPV1MEN1KMT2A
SCHEMBL4951758 0.79 RAB9A (0.56) ROCK2ROCK1TRPV1MEN1KMT2A
SCHEMBL1245421 0.79 RAB9A (0.56) ROCK2ROCK1TRPV1MEN1KMT2A
SCHEMBL5024166 0.79 MCHR1 (0.51) MEN1KMT2APABPC1HDAC6NPC1
SCHEMBL1244241 0.79 HDAC1 (0.53) ROCK2NOTUMMEN1KMT2APABPC1

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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 ROCK2 2234/4885ROCK1 2365/4885NOTUM 1318/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 ROCK2 1383/4885ROCK1 1532/4885NOTUM 2484/4885

“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.