SCHEMBL21973148

SCHEMBL21973148

NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 3/20 0.37
▸ MPO P05164 1/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ ULK1 O75385 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ NR4A2 P43354 1/20 0.33

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
Hydrochloric Acid SCHEMBL20494935 0.99 EGLN1 (0.36) EGLN1MPOCNR2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL20494933 0.99 EGLN1 (0.36) EGLN1MPOCNR2PRKAG1PRKAA1
SCHEMBL21973143 0.89 FAAH (0.36) EGLN1MPOCNR2FLT3CHEK2
SCHEMBL21973439 0.89 FAAH (0.36) EGLN1MPOCNR2FLT3CHEK2
Hydrochloric Acid SCHEMBL20494980 0.88 FAAH (0.36) EGLN1MPOCNR2FLT3CHEK2
Hydrochloric Acid SCHEMBL20495069 0.88 FAAH (0.36) EGLN1MPOCNR2FLT3CHEK2
Hydrochloric Acid SCHEMBL20494979 0.88 FAAH (0.36) EGLN1MPOCNR2FLT3CHEK2
SCHEMBL21973145 0.85 SCN9A (0.34) MPOCNR2FLT3TDO2CHEK2
Hydrochloric Acid SCHEMBL20495029 0.85 SCN9A (0.34) MPOCNR2FLT3TDO2CHEK2
SCHEMBL21973352 0.84 FAAH (0.37) EGLN1MPOCNR2FLT3CHEK2

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 2 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

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 EGLN1 2039/4885MPO 1666/4885CNR2 4493/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 EGLN1 2039/4885MPO 1666/4885CNR2 4493/4885

“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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