SCHEMBL21973205

SCHEMBL21973205

Cn1c(C(=O)NC[C@@H](N)CCCN)nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 6/20 0.38
▸ DPP4 P27487 3/20 0.35
▸ PLG P00747 3/20 0.34
▸ MAPT P10636 1/20 0.33
▸ PCSK9 Q8NBP7 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL21973621 0.90 ACSS2 (0.42) ACSS2PLGMAPTPCSK9
SCHEMBL21973167 0.90 ACSS2 (0.38) ACSS2DPP4NPC1RAB9ADPP8
SCHEMBL21973156 0.90 ACSS2 (0.38) ACSS2DPP4NPC1RAB9ADPP8
Hydrochloric Acid SCHEMBL20495118 0.90 ACSS2 (0.37) ACSS2DPP4NPC1RAB9ADPP8
Hydrochloric Acid SCHEMBL20494957 0.90 ACSS2 (0.37) ACSS2DPP4NPC1RAB9ADPP8
Hydrochloric Acid SCHEMBL20494956 0.90 ACSS2 (0.37) ACSS2DPP4NPC1RAB9ADPP8
SCHEMBL21973346 0.85 PPARG (0.36) —
Hydrochloric Acid SCHEMBL20495565 0.84 PPARG (0.36) —
Hydrochloric Acid SCHEMBL20495564 0.83 PPARG (0.35) MAPT
SCHEMBL21973357 0.83 ASAH1 (0.38) ACSS2PCSK9NPC1RAB9AHDAC6

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 ACSS2 1103/4885DPP4 1785/4885PLG 3254/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ACSS2 1103/4885DPP4 1785/4885PLG 3254/4885

“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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