SCHEMBL5024482

SCHEMBL5024482

NCCN(CCN)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)Nc1ccc2ncccc2c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
MCHR1 Q99705 3/20 0.36
XIAP P98170 1/20 0.35
CYP2D6 P10635 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
STAT6 P42226 1/20 0.35
STAT5A P42229 1/20 0.35
STAT5B P51692 1/20 0.35
ABL1 P00519 2/20 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
SCHEMBL5018703 0.90 XIAP (0.42) MCHR1XIAPSTAT6STAT5ASTAT5B
SCHEMBL5018522 0.90 XIAP (0.42) MCHR1XIAPSTAT6STAT5ASTAT5B
SCHEMBL5018579 0.83 HDAC1 (0.41) HDAC4HDAC1
SCHEMBL5024476 0.81 TRPM8 (0.40) CYP3A4CYP1A2MAPTTRPV1TRPM8
SCHEMBL5018454 0.78 TRPM8 (0.42) CYP3A4CYP1A2MAPTTRPV1TRPM8
SCHEMBL5018666 0.78 TRPM8 (0.41) CYP3A4CYP1A2MAPTTRPV1TRPM8
SCHEMBL5018614 0.77 TRPM8 (0.44) CYP3A4CYP1A2SMN1; SMN2MAPTTRPV1
SCHEMBL5018180 0.75 HDAC1 (0.42) TRPM8MCHR1HDAC3HDAC4HDAC1
SCHEMBL5018571 0.75 TRPM8 (0.39) CYP3A4CYP1A2MAPTTRPV1TRPM8
SCHEMBL5018457 0.73 HDAC1 (0.39) CYP3A4CYP1A2MAPTTRPM8MCHR1

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
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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 CYP3A4 3002/4885CYP2C9 3081/4885CYP2C19 3028/4885

“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.