SCHEMBL12680439

SCHEMBL12680439

O/N=C/c1c[nH]c2ccc(-c3ccc(-c4ccccc4O)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ HASPIN Q8TF76 1/20 0.44
▸ RRM1 P23921 2/20 0.44
▸ PRKAB2 O43741 2/20 0.42
▸ PRKAG1 P54619 2/20 0.42
▸ PRKAA2 P54646 2/20 0.42
▸ PRKAA1 Q13131 2/20 0.42
▸ PRKAG3 Q9UGI9 2/20 0.42
▸ PRKAG2 Q9UGJ0 2/20 0.42
▸ PRKAB1 Q9Y478 2/20 0.42
▸ HTR1A P08908 3/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL12680443 0.87 HTR1A (0.49) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL12680425 0.84 CYP2A6 (0.50) HPGDCCNT1CDK9HASPINRRM1
SCHEMBL12680430 0.74 IMPDH2 (0.50) HPGDCCNT1CDK9HASPINPRKAB2
SCHEMBL5167169 0.72 HTT (1.00) HPGDHTTMEN1KMT2ARAB9A
SCHEMBL2189137 0.72 HTT (1.00) HPGDHTTMEN1KMT2ARAB9A
SCHEMBL2189141 0.72 HTT (1.00) HPGDHTTMEN1KMT2ARAB9A
SCHEMBL31355128 0.72 HTT (1.00) HPGDHTTMEN1KMT2ARAB9A
SCHEMBL12680440 0.71 ALDH1A1 (0.46) CCNT1CDK9HASPINRRM1HTR1A
SCHEMBL3688403 0.70 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL3688400 0.70 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN

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 11 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
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 — — 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 (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 HPGD 901/4885HTT 4396/4885CCNT1 3455/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 HPGD 901/4885HTT 4396/4885CCNT1 3455/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 HPGD 901/4885HTT 4396/4885CCNT1 3455/4885

“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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