SCHEMBL18065660

SCHEMBL18065660

NCCC[C@H](N)CNC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.51
BCHE P06276 4/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR1 P25103 1/20 0.45
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL18065663 1.00 MMP2 (0.51) MMP2BCHEHTR2AHRH1HPGD
SCHEMBL18085420 0.87 HPGD (0.49) MMP2BCHEHPGDMEN1KMT2A
SCHEMBL18065665 0.86 HPGD (0.48) MMP2BCHEHPGDMEN1KMT2A
SCHEMBL18065662 0.86 HPGD (0.48) MMP2BCHEHPGDMEN1KMT2A
SCHEMBL18065708 0.82 MMP2 (0.61) MMP2
SCHEMBL18065711 0.82 MMP2 (0.61) MMP2
SCHEMBL18065673 0.81 MMP2 (0.53) MMP2HPGDKMT2A
SCHEMBL18065670 0.81 MMP2 (0.53) MMP2HPGDKMT2A
SCHEMBL18065699 0.81 MMP2 (0.54) MMP2HTR2AHRH1
SCHEMBL18065700 0.81 MMP2 (0.54) MMP2HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MMP2 678/4885BCHE 2302/4885HTR2A 3940/4885

“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.