SCHEMBL20495236

SCHEMBL20495236

Cn1c(C(=O)O)nc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ HAO2 Q9NYQ3 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20495073 0.85 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL20495451 0.76 ACSS2 (0.39) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL2364886 0.75 PKM (0.44) KDM4EHSD17B10MAPTTDP1
SCHEMBL11266333 0.75 SMN1; SMN2 (0.51) HPGDHSD17B10HDAC6HDAC1HDAC8
SCHEMBL2857716 0.75 NPC1 (0.46) KDM4EALDH1A1HPGDHSD17B10HDAC6
SCHEMBL21973156 0.73 ACSS2 (0.38) ALDH1A1HDAC6HDAC1HDAC8NPC1
SCHEMBL21973357 0.73 ASAH1 (0.38) HDAC6NPC1RAB9AGRIN2BPCSK9
SCHEMBL21973167 0.73 ACSS2 (0.38) ALDH1A1HDAC6HDAC1HDAC8NPC1
SCHEMBL11248902 0.72 MEN1 (0.46) ALDH1A1NPC1RAB9A
SCHEMBL20495470 0.72 FAAH (0.39) HDAC6NR3C1

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 5 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-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
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO 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 KDM4E 4252/4885ALDH1A1 953/4885HPGD 243/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 KDM4E 4252/4885ALDH1A1 953/4885HPGD 243/4885

“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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