SCHEMBL21973145

SCHEMBL21973145

NCCC[C@H](N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ULK1 O75385 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ MPO P05164 1/20 0.31
▸ APOL1 O14791 1/20 0.31

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 SCHEMBL20495025 0.99 SCN9A (0.34) SCN9ACNR2TDO2DPP4CHEK2
Hydrochloric Acid SCHEMBL20495029 0.99 SCN9A (0.34) SCN9ACNR2TDO2DPP4CHEK2
SCHEMBL21973163 0.88 ULK1 (0.35) CHEK2FLT3ULK1
SCHEMBL21973146 0.88 ULK1 (0.35) CHEK2FLT3ULK1
Hydrochloric Acid SCHEMBL20495257 0.87 ULK1 (0.34) CHEK2FLT3ULK1
Hydrochloric Acid SCHEMBL20495259 0.87 ULK1 (0.34) CHEK2FLT3ULK1
SCHEMBL21973143 0.86 FAAH (0.36) SCN9ACNR2CHEK2FLT3ABL1
SCHEMBL21973439 0.86 FAAH (0.36) SCN9ACNR2CHEK2FLT3ABL1
Hydrochloric Acid SCHEMBL20495069 0.85 FAAH (0.36) SCN9ACNR2CHEK2FLT3ABL1
Hydrochloric Acid SCHEMBL20494979 0.85 FAAH (0.36) SCN9ACNR2CHEK2FLT3ABL1

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 SCN9A 1528/4885CNR2 4493/4885TDO2 1813/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 SCN9A 1528/4885CNR2 4493/4885TDO2 1813/4885

“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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