SCHEMBL4952247

SCHEMBL4952247

N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
RHOA P61586 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LNPEP Q9UIQ6 4/20 0.45
ERAP2 Q6P179 1/20 0.45
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 2/20 0.43
ANPEP P15144 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL1246347 0.84 MMP2 (0.42) KDM4EHSP90AA1HSP90AB1RHOANPC1
SCHEMBL1245420 0.81 RAB9A (0.56) KDM4ENPC1RAB9ANFKB1NFKB2
SCHEMBL1245421 0.81 RAB9A (0.56) KDM4ENPC1RAB9ANFKB1NFKB2
SCHEMBL4951758 0.81 RAB9A (0.56) KDM4ENPC1RAB9ANFKB1NFKB2
Trifluoroacetic Acid SCHEMBL1246205 0.80 MMP2 (0.40) KDM4EHSP90AA1HSP90AB1RHOANPC1
SCHEMBL7873450 0.79 ANPEP (0.61) NPC1RAB9ASMN1; SMN2LNPEPERAP2
SCHEMBL4947979 0.79 LNPEP (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4950170 0.76 ACP1 (0.59) KDM4ENPC1RAB9ANFKB1NFKB2
Trifluoroacetic Acid SCHEMBL7727095 0.75 SCN9A (0.54) KDM4ENPC1RAB9ANFKB1NFKB2
SCHEMBL15143051 0.75 LTA4H (0.56) NPC1RAB9ASMN1; SMN2LNPEPERAP2

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 KDM4E 661/4885HSP90AA1 510/4885HSP90AB1 463/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 KDM4E 2628/4885HSP90AA1 241/4885HSP90AB1 121/4885

“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.