SCHEMBL12845409

SCHEMBL12845409

COc1cccc(OC)c1C(=O)c1c(Br)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK39 Q9UEW8 1/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 2/20 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
SCHEMBL12781547 0.92 CNR2 (0.45) STK39CNR2CNR1CA12CA1
SCHEMBL23499947 0.82 CNR2 (0.59) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL12781546 0.78 CYP1A2 (0.47) STK39CA12CA1CA2CA7
SCHEMBL11755425 0.77 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL28421747 0.76 NCEH1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL28006247 0.76 MAPT (0.55) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL29625745 0.76 ABCG2 (0.57) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL24954211 0.76 ABCG2 (0.57) CNR2CNR1MAPTALDH1A1MEN1
SCHEMBL8329065 0.75 MAPT (0.53) CNR2CNR1CA12CA1CA2
SCHEMBL7706394 0.75 CTSD (0.60) CNR2CNR1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 — — US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 — — 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 STK39 3023/4885CNR2 762/4885CNR1 837/4885

“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.

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