SCHEMBL17433465

SCHEMBL17433465

COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
RAB9A P51151 8/20 0.67
NPC1 O15118 7/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
DYRK1A Q13627 1/20 0.63
CSNK1D P48730 1/20 0.62
KDM4E B2RXH2 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
GAA P10253 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
PKM P14618 1/20 0.60
PAX8 Q06710 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60

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
SCHEMBL30930 0.84 NPC1 (0.73) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17433477 0.83 RAB9A (0.65) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17433396 0.82 RAB9A (0.62) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL4917956 0.81 SCD (0.82) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17179427 0.80 RAB9A (0.65) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL18418445 0.80 RAB9A (0.62) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL31119806 0.80 MAPT (0.60) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17433397 0.80 RAB9A (0.61) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL19195263 0.80 RAB9A (0.61) MAPTSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL14807437 0.79 MAP3K5 (0.68) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 MAPT 3760/4885SMN1; SMN2 4628/4885RAB9A 4231/4885

“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.