SCHEMBL46384

SCHEMBL46384

CN1C(=O)CCc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 4/20 0.44
CYP19A1 P11511 3/20 0.44
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 1/20 0.44
MTNR1A P48039 1/20 0.43
CHRM1 P11229 2/20 0.41
DRD2 P14416 2/20 0.41
KCNH2 Q12809 2/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
CYP3A4 P08684 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL29415783 0.90 MTNR1A (0.42) SRD5A1CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL19224617 0.90 MTNR1A (0.42) SRD5A1CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL2398711 0.84 ADRA2A (0.41) CYP1A2MTNR1ACHRM1CHRM2HTR1A
SCHEMBL19481568 0.79 HTR2A (0.41) CYP1A2MTNR1ACHRM1DRD2KCNH2
SCHEMBL28618030 0.79 GRIN2D (0.40) CYP11B2CYP11B1MTNR1ACHRM1DRD2
SCHEMBL25921033 0.79 MTNR1A (0.40) CYP1A2MTNR1ACHRM1DRD2KCNH2
SCHEMBL13019291 0.78 MTNR1A (0.38) CYP11B2CYP11B1MTNR1ACHRM1DRD2
SCHEMBL28708105 0.78 CYP1A2 (0.48) CYP11B2CYP11B1CYP1A2MTNR1ACHRM1
SCHEMBL9514825 0.78 CRBN (0.38) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A2
SCHEMBL28709051 0.78 MTNR1A (0.38) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A2

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
CN-109575050-B Gossypol-7-N heteroisatin Schiff base compounds with anti-tumor activity and synthesis method thereof 陕西盘龙药业集团股份有限公司 2022-03-11 CN disclosed
CN-109438323-B Gossypol-7-N heteroisatin Schiff base compounds with anti-tumor activity and synthesis method thereof 陕西盘龙药业集团股份有限公司 2022-03-11 CN disclosed
EP-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 EP disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC SRD5A1 135/4885CYP11B2 13/4885CYP11B1 9/4885

“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.