SCHEMBL4138174

SCHEMBL4138174

CC(=O)n1nc(C2CC2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ MAP3K12 Q12852 1/20 0.38
▸ MAP3K14 Q99558 4/20 0.37
▸ SRC P12931 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ GSK3A P49840 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
SCHEMBL174681 0.84 SMN1; SMN2 (0.44) NPC1LMNATP53PKMRAB9A
SCHEMBL173999 0.79 KDM4E (0.41) NPC1LMNATP53PKMRAB9A
SCHEMBL13896431 0.75 NPC1 (0.43) NPC1LMNATP53PKMRAB9A
SCHEMBL6783179 0.73 KDM4E (0.40) NPC1LMNATP53PKMRAB9A
SCHEMBL6621580 0.73 NPC1 (0.42) NPC1LMNATP53PKMRAB9A
SCHEMBL574082 0.72 NPC1 (0.45) NPC1LMNATP53PKMRAB9A
SCHEMBL21824339 0.70 HRH4 (0.46) NPC1LMNATP53PKMRAB9A
SCHEMBL21824356 0.69 HRH4 (0.44) NPC1LMNATP53PKMRAB9A
SCHEMBL21824376 0.69 ALDH1A1 (0.44) LMNATP53PKMSMN1; SMN2CYP2C19
SCHEMBL21018359 0.68 NPC1 (0.41) NPC1LMNATP53PKMRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 — — US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 — — 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 NPC1 4189/4885LMNA 4134/4885TP53 3908/4885

“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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