SCHEMBL21973146

SCHEMBL21973146

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 5/20 0.35
▸ CFTR P13569 3/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL21973163 1.00 ULK1 (0.35) ULK1CFTRCACNA1HEGLN1RXRA
Hydrochloric Acid SCHEMBL20495257 0.99 ULK1 (0.34) ULK1CFTRCACNA1HEGLN1RXRA
Hydrochloric Acid SCHEMBL20495259 0.99 ULK1 (0.34) ULK1CFTRCACNA1HEGLN1RXRA
SCHEMBL21973145 0.88 SCN9A (0.34) ULK1CHEK2FLT3
Hydrochloric Acid SCHEMBL20495025 0.87 SCN9A (0.34) ULK1CHEK2FLT3
Hydrochloric Acid SCHEMBL20495029 0.87 SCN9A (0.34) ULK1CHEK2FLT3
SCHEMBL21973143 0.84 FAAH (0.36) EGLN1CHEK2FLT3
SCHEMBL21973439 0.84 FAAH (0.36) EGLN1CHEK2FLT3
Hydrochloric Acid SCHEMBL20494980 0.83 FAAH (0.36) EGLN1CHEK2FLT3
Hydrochloric Acid SCHEMBL20495069 0.83 FAAH (0.36) EGLN1CHEK2FLT3

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 ULK1 3929/4885CFTR 36/4885CACNA1H 3882/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ULK1 3929/4885CFTR 36/4885CACNA1H 3882/4885

“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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