SCHEMBL15780488

SCHEMBL15780488

Cc1c(C(C)C)nc2c(Cl)cccn12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 4/20 0.46
▸ NR1H2 P55055 3/20 0.46
▸ PTPN1 P18031 2/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.34
▸ ATP4A P20648 2/20 0.34
▸ ATP4B P51164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL15766782 0.82 NR1H3 (0.45) NR1H3NR1H2PTPN1GPR139KDM4E
SCHEMBL16160329 0.80 NR1H3 (0.36) NR1H3NR1H2PTPN1GPR139ATP4A
SCHEMBL18231823 0.80 KDM4E (0.36) NR1H3NR1H2PTPN1GPR139ATP4A
SCHEMBL10921468 0.79 ATP4A (0.51) PTPN1ATP4AATP4BKDM4EMAPT
SCHEMBL14685219 0.78 CYP1A2 (0.42) ATP4AATP4BPDE10A
SCHEMBL16160280 0.76 NR1H3 (0.52) NR1H3NR1H2GAAMAPTNPSR1
SCHEMBL15782109 0.74 CYP1A2 (0.39) NR1H3NR1H2ATP4AATP4BKDM4E
SCHEMBL14685218 0.74 PDE10A (0.45) NR1H3NR1H2ATP4AATP4BKDM4E
SCHEMBL14685174 0.73 CYP1A2 (0.38) NR1H3NR1H2PTPN1
SCHEMBL1893855 0.72 NR1H3 (0.61) NR1H3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 — — US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 — — US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 — — US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 — — US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 — — EP 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 (2 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-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 NR1H3 1611/4885NR1H2 1260/4885PTPN1 3923/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD NR1H3 35/4885NR1H2 23/4885PTPN1 2068/4885

“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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