SCHEMBL21973357

SCHEMBL21973357

CCCC[C@@H](N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.38
▸ ACSS2 Q9NR19 3/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ SMPD1 P17405 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ GAA P10253 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
SCHEMBL21973167 0.92 ACSS2 (0.38) ASAH1ACSS2NPC1RAB9AMEN1
SCHEMBL21973156 0.92 ACSS2 (0.38) ASAH1ACSS2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20495118 0.91 ACSS2 (0.37) ASAH1ACSS2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20494956 0.91 ACSS2 (0.37) ASAH1ACSS2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20494957 0.91 ACSS2 (0.37) ASAH1ACSS2NPC1RAB9AMEN1
SCHEMBL21973621 0.85 ACSS2 (0.42) ACSS2TP53SMN1; SMN2PCSK9GRIN2B
SCHEMBL21973624 0.84 PPARG (0.35) NPC1RAB9AMEN1KMT2AHDAC6
SCHEMBL21973205 0.83 ACSS2 (0.38) ACSS2NPC1RAB9AHDAC6PCSK9
SCHEMBL20495276 0.79 PPARG (0.38) MEN1KMT2A
SCHEMBL20495279 0.79 PPARG (0.38) MEN1KMT2A

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 ASAH1 1070/4885ACSS2 1103/4885NPC1 88/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ASAH1 1070/4885ACSS2 1103/4885NPC1 88/4885

“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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