SCHEMBL20495276

SCHEMBL20495276

NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.38
▸ TBXA2R P21731 5/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GNRHR P30968 1/20 0.34
▸ S1PR3 Q99500 1/20 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
SCHEMBL20495279 1.00 PPARG (0.38) PPARGTBXA2RAGTR1AGTR2ALOX5AP
Hydrochloric Acid SCHEMBL20494952 0.99 PPARG (0.38) PPARGTBXA2RAGTR1AGTR2ALOX5AP
Hydrochloric Acid SCHEMBL20494951 0.98 PPARG (0.37) PPARGTBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL21973157 0.96 PPARG (0.40) PPARGALOX5APPOLBGNRHRS1PR3
Hydrochloric Acid SCHEMBL20495222 0.95 PPARG (0.40) PPARGALOX5APPOLBGNRHRS1PR3
Hydrochloric Acid SCHEMBL20495220 0.95 PPARG (0.40) PPARGALOX5APPOLBGNRHRS1PR3
SCHEMBL20495074 0.93 RORC (0.37) AGTR1AGTR2MEN1ALDH1A1HPGD
SCHEMBL20495075 0.93 RORC (0.37) AGTR1AGTR2MEN1ALDH1A1HPGD
SCHEMBL20494828 0.89 S1PR3 (0.39) POLBS1PR3
SCHEMBL21973633 0.89 S1PR3 (0.41) ALOX5APS1PR3

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-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 PPARG 3051/4885TBXA2R 2585/4885AGTR1 1572/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 PPARG 3051/4885TBXA2R 2585/4885AGTR1 1572/4885

“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.

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