SCHEMBL5018745

SCHEMBL5018745

CC(C)Cc1cccc(-c2ccnn2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSA P10619 1/20 0.43
HDAC8 Q9BY41 5/20 0.42
ICMT O60725 3/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CTSD P07339 2/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 1/20 0.40
MAP3K5 Q99683 1/20 0.40
CTSK P43235 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5024043 0.83 NISCH (0.49) CTSSCTSVCTSLCTSBCTSA
SCHEMBL15881159 0.83 CTSV (0.53) CTSSCTSVCTSLCTSBCTSA
SCHEMBL112291 0.81 CTSV (0.46) CTSSCTSVCTSLCTSBCTSA
SCHEMBL20757937 0.81 CYP1A2 (0.50) HDAC8ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15824766 0.77 CTSV (0.53) CTSSCTSVCTSLCTSBCTSA
SCHEMBL8807528 0.77 CTSV (0.50) CTSSCTSVCTSLCTSBCTSA
SCHEMBL15340954 0.76 CTSA (0.51) CTSSCTSVCTSLCTSBCTSA
SCHEMBL28161128 0.76 CTSS (0.48) CTSSCTSK
SCHEMBL16139726 0.75 SLC5A1 (0.51) CTSSCTSK
SCHEMBL13035808 0.74 NT5E (0.50) CTSAICMTMAP3K5KDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTSS 1281/4885CTSV 1597/4885CTSL 1724/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTSS 1281/4885CTSV 1597/4885CTSL 1724/4885

“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.