SCHEMBL4949518

SCHEMBL4949518

NC(=O)c1nc2ccccc2cc1NC(=O)[CH]Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKB O14920 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GALR3 O60755 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PLAU P00749 2/20 0.35
NR2F2 P24468 1/20 0.35
APP P05067 2/20 0.34
ACHE P22303 2/20 0.34
CD38 P28907 1/20 0.34
TNIK Q9UKE5 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4945097 0.91 HTT (0.42) ALDH1A1KDM4EMEN1KMT2AIKBKB
SCHEMBL4951752 0.88 SMN1; SMN2 (0.40) ALDH1A1KDM4EMEN1KMT2AIKBKB
SCHEMBL4945845 0.80 HTT (0.40) ALDH1A1KDM4EIKBKBSMN1; SMN2HTT
SCHEMBL5184418 0.73 KDR (0.59) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6165136 0.69 PKM (0.41) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4950164 0.69 LNPEP (0.37) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4952246 0.69 ACHE (0.41) ALDH1A1KDM4EMEN1KMT2AIKBKB
SCHEMBL3515481 0.69 IKBKB (0.54) ALDH1A1KDM4EMEN1KMT2AIKBKB
SCHEMBL6162053 0.68 LMNA (0.42) ALDH1A1RAB9AHTTNPC1HPGD
SCHEMBL4952880 0.68 HCAR2 (0.38) ALDH1A1KDM4EMEN1KMT2ARAB9A

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 ALDH1A1 3712/4885KDM4E 661/4885MEN1 4742/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 ALDH1A1 2512/4885KDM4E 2628/4885MEN1 4525/4885

“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.