SCHEMBL12780335

SCHEMBL12780335

O=C1c2cc(Cl)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Cl)cc(c2c37)C(=O)N1c1ccc(N(c2ccccc2)c2ccccc2)cc1)c64)C(=O)N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C5=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA2 P00918 2/20 0.42
▸ SCN2A Q99250 1/20 0.40
▸ APAF1 O14727 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RAD51 Q06609 1/20 0.38
▸ APP P05067 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36

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
SCHEMBL28839555 0.81 KMT2A (0.67) CA9MEN1KMT2ACA12CA1
SCHEMBL12780336 0.80 MEN1 (0.40) CA9MEN1KMT2ACA12CA1
SCHEMBL12395619 0.79 KMT2A (0.49) CA9MEN1KMT2ACA12CA1
SCHEMBL15248669 0.78 CA9 (0.77) CA9MEN1KMT2ACA12CA1
SCHEMBL14706341 0.76 KMT2A (0.41) CA9MEN1KMT2ACA12CA1
SCHEMBL28839593 0.76 ALDH1A1 (0.62) CA9MEN1KMT2ACA12CA1
SCHEMBL21536909 0.74 ESR1 (0.49) CA9MEN1KMT2ACA12CA1
SCHEMBL9633890 0.73 CA9 (0.66) CA9MEN1KMT2ACA12CA1
SCHEMBL29710383 0.73 CA9 (0.66) CA9MEN1KMT2ACA12CA1
SCHEMBL17514367 0.73 PDE6D (0.47) CA9MEN1KMT2ACA12CA1

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-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 — — US disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 — — US disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 — — EP disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 — — US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 — — US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 — — US disclosed
WO-2009141288-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2009-11-26 — — 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-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 CA9 1267/4885MEN1 1397/4885KMT2A 2613/4885

“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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