SCHEMBL20549513

SCHEMBL20549513

C[C@H]1CNc2c(ccc(F)c2Br)N1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL20549515 1.00 NPC1 (0.31) NPC1LMNARAB9ACDK1MAPKAPK2
SCHEMBL28517987 0.70 MEN1 (0.46) NPC1LMNARAB9ACDK1MAPKAPK2
SCHEMBL10841291 0.70 AR (0.30) —
SCHEMBL10834821 0.69 AR (0.43) —
SCHEMBL15231700 0.69 CREBBP (0.46) —
SCHEMBL29070676 0.67 CHRNB2 (0.36) CDK1MAPKAPK2
SCHEMBL24290488 0.67 PNMT (0.42) NPC1LMNARAB9AMAPKAPK2
SCHEMBL16722791 0.67 PNMT (0.42) NPC1LMNARAB9AMAPKAPK2
SCHEMBL29070701 0.67 HTR2C (0.40) —
SCHEMBL30570960 0.67 HTR2C (0.40) —

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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 — — US disclosed
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 — — 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 (1 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B NPC1 2303/4885LMNA 1137/4885RAB9A 2307/4885

“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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