SCHEMBL11528802

SCHEMBL11528802

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 1.00
NPC1 O15118 8/20 1.00
CASP3 P42574 1/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
ALOX12 P18054 2/20 0.76
HPGD P15428 1/20 0.76
ALOX15 P16050 1/20 0.76
MAPT P10636 4/20 0.76
LMNA P02545 4/20 0.76
NPSR1 Q6W5P4 2/20 0.71
HTT P42858 1/20 0.71
ALDH1A1 P00352 6/20 0.67
TP53 P04637 3/20 0.67
POLB P06746 3/20 0.67
KDM4E B2RXH2 2/20 0.67

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
SCHEMBL16028728 0.85 RAB9A (0.74) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12846740 0.84 RAB9A (0.73) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL22860758 0.84 RAB9A (0.71) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL29598234 0.84 RAB9A (0.71) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7712096 0.82 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15057349 0.82 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL16029295 0.82 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6632968 0.82 RAB9A (1.00) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL23011774 0.82 ALDH1A1 (0.84) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL5115718 0.81 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7

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 8 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
US-4174350-A Herbicidal active carboxanilide derivatives STAUFFER CHEMICAL COMPANY (US) 1979-11-13 US disclosed
US-4144250-A Herbicidal active carboxanilide derivatives STAUFFER CHEMICAL COMPANY (US) 1979-03-13 US disclosed
US-4140705-A Herbicidal active carboxanilide derivatives STAUFFER CHEMICAL COMPANY (US) 1979-02-20 US disclosed
US-4088687-A HERBICIDAL ACTIVE CARBOXANILIDE DERIVATIVE STAUFFER CHEMICAL COMPANY (US) 1978-05-09 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 RAB9A 1091/4885NPC1 402/4885CASP3 241/4885

“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.