SCHEMBL5018477

SCHEMBL5018477

CC(C)c1ccc(NC(=O)C(CCc2ccccc2)NC(=O)CC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
EPHX1 P07099 1/20 0.41
POLB P06746 1/20 0.41
CALCRL Q16602 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MMP3 P08254 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL5019102 0.91 RAB9A (0.46) RAB9AEPHX1POLBCALCRLTP53
SCHEMBL5018149 0.82 PLAU (0.48) CALCRLMMP3MMP1MMP2MMP12
SCHEMBL5018187 0.80 NPC1 (0.47) RAB9ACALCRLMAPTMMP3MMP1
SCHEMBL5019099 0.80 SPHK1 (0.47) MMP3MMP2CHRNB2CHRNB4CHRNA3
SCHEMBL5018553 0.80 LMNA (0.41) CALCRLMAPTMMP3MMP1MMP2
SCHEMBL5018186 0.80 CALCRL (0.45) RAB9ACALCRLMMP3MMP1MMP2
SCHEMBL5018237 0.80 LTA4H (0.42) RAB9ATP53MAPTMMP3MMP1
SCHEMBL5018393 0.79 MMP3 (0.41) CALCRLMMP3MMP1MMP2MMP12
SCHEMBL5018191 0.79 ALDH1A1 (0.47) MMP1
SCHEMBL5018305 0.79 FPR2 (0.44) RAB9ACALCRLMMP2

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 4 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-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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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 (1 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 RAB9A 495/4885EPHX1 2915/4885POLB 212/4885

“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.