SCHEMBL4047019

SCHEMBL4047019

[c]1cc(-c2ccc3ccccc3c2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
NISCH Q9Y2I1 1/20 0.44
NOTUM Q6P988 1/20 0.41
IKBKB O14920 1/20 0.41
GSTP1 P09211 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 3/20 0.40
CA12 O43570 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGER3 P43115 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 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
SCHEMBL1897272 0.77 NISCH (0.49) NISCHCYP1A2CA12ALDH1A1
SCHEMBL69802 0.77 SCN4A (0.45) NOTUMMAPK10ALDH1A1HPGDKDM4E
SCHEMBL4049958 0.72 CYP1A2 (0.46) CYP1A2KDM4ENPC1RAB9A
SCHEMBL69536 0.71 HSD17B1 (0.46) ESR1ESR2CYP1A2CA12HSD17B1
SCHEMBL4053635 0.71 GAA (0.50) NISCHNOTUMCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2462919 0.70 NPC1 (0.65) CYP11B1CYP11B2NOTUMMAPK8MAPK9
SCHEMBL30964773 0.70 NPC1 (0.65) CYP11B1CYP11B2NOTUMMAPK8MAPK9
SCHEMBL1896606 0.70 ALDH1A1 (0.45) NISCHCYP1A2CA12SMN1; SMN2ALDH1A1
SCHEMBL4044196 0.70 TGFBR1 (0.46) CYP1A2RAB9A
SCHEMBL71449 0.69 ESR1 (0.40) ESR1ESR2SMN1; SMN2ALDH1A1HPGD

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-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP11B1 18/4885CYP11B2 16/4885NISCH 1902/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP11B1 9/4885CYP11B2 6/4885NISCH 1980/4885

“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.