SCHEMBL7980478

SCHEMBL7980478

O=C(CCn1ccnc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TBXAS1 P24557 2/20 0.51
ALPG P10696 2/20 0.50
ALPI P09923 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLAA Q9Y263 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2436231 0.92 TBXAS1 (0.59) CA12CA1CA2CA3CA4
SCHEMBL411299 0.86 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL6950296 0.84 TBXAS1 (0.58) TBXAS1EGLN3
SCHEMBL12327095 0.83 ALOX15 (0.47) CA12CA1CA2CA3CA4
Hydrochloric Acid SCHEMBL408241 0.83 TBXAS1 (0.57) TBXAS1EGLN3
SCHEMBL10674870 0.80 ALOX15 (0.47) CA12CA1CA2CA3CA4
SCHEMBL10515869 0.80 ALOX15 (0.47) CA12CA1CA2CA3CA4
SCHEMBL11253238 0.80 TBXAS1 (0.56) TBXAS1ALPGALPITDP1PLAA
SCHEMBL12327532 0.78 ALOX15 (0.51) ALOX15HSD17B10TBXAS1
Hydrochloric Acid SCHEMBL11252177 0.78 TBXAS1 (0.55) TBXAS1ALPGALPITDP1PLAA

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CA12 3567/4885CA1 1165/4885CA2 2581/4885

“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.