SCHEMBL3221069

SCHEMBL3221069

O=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NOTUM Q6P988 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMO O15229 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL10029580 0.89 POLB (0.47) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL27729677 0.85 NOTUM (0.67) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL627503 0.84 NOTUM (0.48) L3MBTL1POLBNOTUMSMN1; SMN2HTT
SCHEMBL3224943 0.83 NOTUM (0.50) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL3222545 0.81 L3MBTL1 (0.45) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL27788409 0.81 NOTUM (0.65) L3MBTL1POLBTDP1NOTUMSMN1; SMN2
SCHEMBL25218594 0.80 NOTUM (0.50) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL4142743 0.80 NOTUM (0.67) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL11612160 0.80 NOTUM (0.50) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL27729720 0.79 MEN1 (0.53) POLBMAPTNOTUMSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US claimed
WO-2010017132-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO claimed
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
US-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-12-27 US disclosed
WO-2010017132-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO disclosed
WO-2010017132-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 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-20120329812-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA L3MBTL1 3550/4885POLB 2457/4885MAPT 934/4885

“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.