SCHEMBL3222545

SCHEMBL3222545

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 3/20 0.45
ALOX15 P16050 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 4/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOTUM Q6P988 2/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
KMO O15229 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 1/20 0.40
ALOX5 P09917 1/20 0.40
KLK7 P49862 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL3224943 0.87 NOTUM (0.50) L3MBTL1HTTPOLBMAPTTDP1
SCHEMBL25227460 0.83 SMN1; SMN2 (0.44) HTTPOLBMAPTNOTUMRAB9A
SCHEMBL3221069 0.81 L3MBTL1 (0.48) L3MBTL1HTTPOLBMAPTTDP1
SCHEMBL10029580 0.76 POLB (0.47) L3MBTL1HTTPOLBMAPTTDP1
SCHEMBL2226836 0.75 KMO (0.51) POLBMAPTKMOALDH1A1JAK2
SCHEMBL26148033 0.74 ADRB2 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4751904 0.73 VHL (0.54) HTTPOLBMAPTTDP1RAB9A
SCHEMBL11612160 0.73 NOTUM (0.50) L3MBTL1HTTPOLBMAPTTDP1
SCHEMBL9829861 0.73 L3MBTL1 (0.49) L3MBTL1POLBMAPTTDP1NOTUM
SCHEMBL25601889 0.73 KLK7 (0.41) HTTLMNAALDH1A1SMN1; SMN2KLK7

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 3550/4885HTT 32/4885ALOX15 38/4885

“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.