SCHEMBL4951232

SCHEMBL4951232

NC(=O)c1nc(NC(=O)[CH]CCc2ccccc2)sc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.49
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
GLS O94925 2/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
F2 P00734 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4949867 0.76 GSTO1 (0.49) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4950554 0.72 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5183711 0.71 GSTO1 (0.47) ALDH1A1RAB9A
SCHEMBL4952246 0.69 ACHE (0.41) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5184585 0.69 GSTO1 (0.64) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL26125763 0.68 CYP1A2 (0.64) ALDH1A1MAPTSMN1; SMN2KMT2AHPGD
SCHEMBL19981501 0.67 LMNA (0.48) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4949852 0.67 RAB9A (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7873448 0.66 MAPT (0.48) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4951752 0.66 SMN1; SMN2 (0.40) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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 ATAD2 481/4885ALDH1A1 3712/4885RAB9A 534/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 ATAD2 124/4885ALDH1A1 2512/4885RAB9A 463/4885

“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.