SCHEMBL12680436

SCHEMBL12680436

Oc1ccc(-c2ccc(-c3ccc4[nH]ccc4c3)cc2)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 5/20 0.64
▸ USP2 O75604 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ RAD51 Q06609 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ NPC1 O15118 1/20 0.57
▸ DYRK1A Q13627 2/20 0.53
▸ DYRK2 Q92630 2/20 0.53
▸ DYRK1B Q9Y463 2/20 0.53
▸ CLK1 P49759 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HDAC2 Q92769 1/20 0.49
▸ TYR P14679 1/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ CYP17A1 P05093 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47

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
SCHEMBL27500072 0.86 USP2 (0.70) GUSBUSP2GAAALOX15RAD51
SCHEMBL12680421 0.84 NPC1 (0.67) GUSBUSP2GAAALOX15RAD51
SCHEMBL29440252 0.78 USP2 (1.00) GUSBUSP2GAAALOX15RAD51
SCHEMBL50566 0.78 USP2 (1.00) GUSBUSP2GAAALOX15RAD51
SCHEMBL5850255 0.78 NPC1 (0.79) GUSBUSP2GAAALOX15RAD51
SCHEMBL27500073 0.77 GUSB (0.68) GUSBUSP2GAAALOX15RAD51
Water SCHEMBL28220544 0.77 USP2 (0.95) GUSBUSP2GAAALOX15RAD51
Hydrochloric Acid SCHEMBL4718421 0.77 USP2 (0.95) GUSBUSP2GAAALOX15RAD51
Bromide SCHEMBL6029763 0.77 USP2 (0.95) GUSBUSP2GAAALOX15RAD51
SCHEMBL3811869 0.74 ALOX5 (0.70) ALOX5ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 — — US disclosed
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 — — US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 — — US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 — — US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 — — US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 — — US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 — — US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 — — US disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 — — US disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 — — US 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 (3 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-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 GUSB 2047/4885USP2 2798/4885GAA 478/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 GUSB 2047/4885USP2 2798/4885GAA 478/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 GUSB 2047/4885USP2 2798/4885GAA 478/4885

“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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