SCHEMBL21973167

SCHEMBL21973167

Cn1c(C(=O)NC[C@@H](N)CCCN)nc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 5/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 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
SCHEMBL21973156 1.00 ACSS2 (0.38) ACSS2HDAC6NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20495118 0.99 ACSS2 (0.37) ACSS2HDAC6NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20494957 0.99 ACSS2 (0.37) ACSS2HDAC6NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL20494956 0.99 ACSS2 (0.37) ACSS2HDAC6NPC1RAB9AMEN1
SCHEMBL21973357 0.92 ASAH1 (0.38) ACSS2HDAC6NPC1RAB9AMEN1
SCHEMBL21973621 0.92 ACSS2 (0.42) ACSS2SMN1; SMN2GRIN2B
SCHEMBL21973205 0.90 ACSS2 (0.38) ACSS2HDAC6NPC1RAB9AGAA
SCHEMBL21973624 0.90 PPARG (0.35) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL20495276 0.86 PPARG (0.38) MEN1KMT2AALDH1A1
SCHEMBL20495279 0.86 PPARG (0.38) MEN1KMT2AALDH1A1

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 1103/4885HDAC6 1016/4885NPC1 88/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ACSS2 1103/4885HDAC6 1016/4885NPC1 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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