SCHEMBL12443353

SCHEMBL12443353

O=C(Nc1cccnc1)c1ccc(COc2ccc3ccccc3c2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.74
▸ RAB9A P51151 9/20 0.74
▸ NPC1 O15118 8/20 0.74
▸ MAPT P10636 8/20 0.74
▸ HPGD P15428 6/20 0.67
▸ MAPK1 P28482 5/20 0.67
▸ LMNA P02545 4/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ USP2 O75604 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ SLC12A2 P55011 1/20 0.67
▸ SLC12A5 Q9H2X9 1/20 0.67
▸ TDP1 Q9NUW8 2/20 0.65
▸ CYP1A2 P05177 3/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ CYP2C9 P11712 3/20 0.63
▸ CYP2C19 P33261 3/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ HSP90AA1 P07900 1/20 0.55

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
SCHEMBL12259192 0.78 MAPT (0.77) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL28058986 0.73 NR1H4 (0.71) RAB9ANPC1MAPK1KMT2AMEN1
SCHEMBL6841397 0.72 RAB9A (0.65) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL31261642 0.71 LRRK2 (0.53) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL14757323 0.71 NPC1 (0.79) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL24470594 0.71 CASP3 (0.63) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL12010986 0.71 RAB9A (0.80) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL28244529 0.70 ALOX5 (0.67) MAPK1CYP3A4
SCHEMBL23091167 0.69 NPC1 (0.67) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL28857623 0.69 LMNA (0.71) SMN1; SMN2RAB9ANPC1MAPTHPGD

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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 (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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 SMN1; SMN2 4839/4885RAB9A 1091/4885NPC1 402/4885

“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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