SCHEMBL6300586

SCHEMBL6300586

CCc1cc2cc(Br)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CYP2A6 P11509 1/20 0.49
PIM1 P11309 1/20 0.47
USP2 O75604 2/20 0.47
MAOA P21397 1/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ALDH2 P05091 1/20 0.43
ALDH1A3 P47895 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL30317998 1.00 CYP19A1 (0.51) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL6301307 0.85 CYP19A1 (0.49) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL27890920 0.85 APP (0.41) CYP19A1CYP2A6USP2MAOBAPP
SCHEMBL16376504 0.82 CYP19A1 (0.53) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL2333763 0.82 CYP19A1 (0.47) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL7469284 0.81 ALOX15 (0.47) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL31095794 0.81 IDO1 (0.55) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL120819 0.81 IDO1 (0.55) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL119526 0.81 CYP19A1 (0.51) CYP19A1CYP2A6PIM1USP2MAOA
SCHEMBL3623465 0.81 LOXL2 (0.58) CYP19A1CYP2A6PIM1USP2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718735-A 2-ethyl-3-(4-hydroxy) benzoyl benzofuran compounds and compositions and preparation methods of compounds UNIV SHENYANG PHARMACEUTICAL 2012-10-10 CN disclosed
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-07-26 US disclosed
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-29 US disclosed
WO-2007090836-A2 PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 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 (4 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 CYP19A1 2703/4885CYP2A6 2323/4885PIM1 1968/4885
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists CXCR3, CXCR1, CXCR2 CYP19A1 3197/4885CYP2A6 1959/4885PIM1 2883/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM CYP19A1 1971/4885CYP2A6 1717/4885PIM1 2861/4885
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CYP19A1 7/4885CYP2A6 62/4885PIM1 3207/4885

“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.