SCHEMBL4950561

SCHEMBL4950561

Cc1nc(C)c(-c2csc(NC(=O)[C@H](N)CCc3ccccc3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
KDM4E B2RXH2 4/20 0.64
NPSR1 Q6W5P4 3/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 6/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
TRPV4 Q9HBA0 2/20 0.52
OPRM1 P35372 3/20 0.52
GAA P10253 3/20 0.49
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL1244131 0.88 MAPT (0.54) MAPTKDM4ENPSR1LMNAHTT
SCHEMBL16440376 0.86 MAPT (0.59) MAPTKDM4ENPSR1LMNAHTT
SCHEMBL21225987 0.83 HDAC6 (0.66) MAPTHDAC6NPC1RAB9A
SCHEMBL4949871 0.83 HDAC6 (0.66) MAPTHDAC6NPC1RAB9A
SCHEMBL21225986 0.83 HDAC6 (0.66) MAPTHDAC6NPC1RAB9A
SCHEMBL16434204 0.82 MAPT (0.70) MAPTKDM4ENPSR1LMNAHTT
SCHEMBL16434295 0.82 MAPT (0.56) MAPTKDM4ENPSR1LMNAHTT
SCHEMBL4950607 0.81 HDAC6 (0.68) MAPTALDH1A1HDAC6
SCHEMBL16434293 0.78 TRPV4 (0.57) MAPTKDM4ENPSR1LMNAHTT
SCHEMBL16440387 0.77 TRPV4 (0.56) MAPTKDM4ENPSR1LMNAHTT

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 MAPT 4181/4885KDM4E 661/4885NPSR1 4395/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 MAPT 4102/4885KDM4E 2628/4885NPSR1 4172/4885

“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.