SCHEMBL5018916

SCHEMBL5018916

Cc1ccc(C(c2cccnc2)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL10442614 0.89 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL17069272 0.87 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10442149 0.87 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4047293 0.84 CFTR (0.43) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11633010 0.84 CYP19A1 (0.64) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5023967 0.81 TBXAS1 (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5998629 0.80 TBXAS1 (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9516896 0.78 ACHE (0.47) CYP19A1GAAALDH1A1LMNACYP17A1
SCHEMBL10562053 0.76 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6505294 0.76 ALDH1A1 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC

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 5 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (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 CFTR 34/4885SLC6A2 680/4885SLC6A4 1283/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CFTR 34/4885SLC6A2 680/4885SLC6A4 1283/4885

“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.