SCHEMBL3407233

SCHEMBL3407233

Cc1cc(OCc2ccccc2)c(C=CC(=O)c2ccc(N)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ PTPN1 P18031 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ KRAS P01116 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL1682157 0.87 MAOB (0.66) MAOBCYP1B1ABCG2PTPN1TNFRSF1A
SCHEMBL3407236 0.81 PDE4A (0.55) MAOBCYP1B1ABCG2ALDH1A1LMNA
SCHEMBL3413354 0.78 RAB9A (0.42) MAOBABCG2PTPN1ALDH1A1LMNA
SCHEMBL3410776 0.76 AKR1C3 (0.41) ALDH1A1LMNATHRB
SCHEMBL4883621 0.75 ABCG2 (0.65) MAOBABCG2PTPN1MEN1POLB
SCHEMBL5318918 0.75 ABCG2 (0.65) MAOBABCG2PTPN1MEN1POLB
SCHEMBL27705775 0.74 MAOB (0.71) MAOBCYP1B1ABCG2PTPN1TNFRSF1A
SCHEMBL27705774 0.74 MAOB (0.71) MAOBCYP1B1ABCG2PTPN1TNFRSF1A
SCHEMBL27650595 0.74 ABCG2 (0.53) MAOBABCG2PTPN1ALDH1A1LMNA
SCHEMBL17237769 0.74 MAOB (0.67) MAOBCYP1B1ABCG2PTPN1TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816331-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 — — US disclosed
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES PATEL MONA 2010-03-11 — — US disclosed
EP-1680414-A4 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP disclosed
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES PATEL MONA 2009-04-16 — — US disclosed
US-7511021-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 — — US disclosed
US-20060217323-A1 Substituted indazole-O-glucosides Tanabe Pharma Corporation (JP) 2006-09-28 — — US disclosed
US-7084124-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-01 — — US disclosed
EP-1680414-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP disclosed
US-20050032711-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — US disclosed
WO-2005011592-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 — — 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 (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-20050032711-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 MAOB 1001/4885CYP1B1 548/4885ABCG2 430/4885
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES GYS2, GPR119, UGGT1 MAOB 1001/4885CYP1B1 548/4885ABCG2 430/4885
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES GYS2, GPR119, PYGL MAOB 784/4885CYP1B1 447/4885ABCG2 365/4885
US-20060217323-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 MAOB 1001/4885CYP1B1 548/4885ABCG2 430/4885

“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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