SCHEMBL6004972

SCHEMBL6004972

CCC([O])c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2D6 P10635 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AOC3 Q16853 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.44
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
KCNH2 Q12809 5/20 0.42
CYP3A4 P08684 4/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL6303989 0.85 UGT2B7 (0.48) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL6301619 0.82 UGT2B7 (0.46) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL27432652 0.80 CYP2D6 (0.50) UGT2B7CYP1A2CYP2D6MEN1KMT2A
SCHEMBL5408505 0.79 UGT2B7 (0.55) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL16684715 0.78 UGT2B7 (0.59) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL5401290 0.78 UGT2B7 (0.59) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL10827613 0.77 AKR1C3 (0.56) UGT2B7CYP1A2CYP2D6MEN1KMT2A
SCHEMBL132329 0.77 UGT2B7 (0.63) UGT2B7CYP1A2CYP2A6CYP2D6MEN1
SCHEMBL3797208 0.77 AKR1C3 (0.52) UGT2B7CYP1A2CYP2D6MEN1KMT2A
SCHEMBL9670288 0.76 UGT2B7 (0.56) UGT2B7CYP1A2CYP2A6CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 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 (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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A UGT2B7 1711/4885CYP1A2 1222/4885CYP2A6 1223/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 UGT2B7 707/4885CYP1A2 68/4885CYP2A6 833/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR UGT2B7 2043/4885CYP1A2 551/4885CYP2A6 1692/4885

“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.