SCHEMBL21973143

SCHEMBL21973143

NCCC[C@@H](N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ FLT3 P36888 3/20 0.35
▸ EGLN1 Q9GZT9 3/20 0.35
▸ MPO P05164 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL21973439 1.00 FAAH (0.36) FAAHABL1BCRFLT3EGLN1
Hydrochloric Acid SCHEMBL20495069 0.99 FAAH (0.36) FAAHABL1BCRFLT3EGLN1
Hydrochloric Acid SCHEMBL20494980 0.99 FAAH (0.36) FAAHABL1BCRFLT3EGLN1
Hydrochloric Acid SCHEMBL20494979 0.99 FAAH (0.36) FAAHABL1BCRFLT3EGLN1
SCHEMBL21973352 0.95 FAAH (0.37) FAAHABL1BCRFLT3EGLN1
Hydrochloric Acid SCHEMBL20495299 0.94 FAAH (0.36) FAAHABL1BCREGLN1MPO
Hydrochloric Acid SCHEMBL20495296 0.94 FAAH (0.36) FAAHABL1BCREGLN1MPO
Hydrochloric Acid SCHEMBL20495297 0.94 FAAH (0.36) FAAHABL1BCREGLN1MPO
SCHEMBL21973351 0.91 EGLN1 (0.40) FAAHABL1BCREGLN1MPO
Hydrochloric Acid SCHEMBL20495012 0.90 EGLN1 (0.39) FAAHABL1BCREGLN1MPO

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 FAAH 2083/4885ABL1 1676/4885BCR 808/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 FAAH 2083/4885ABL1 1676/4885BCR 808/4885

“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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