SCHEMBL3041131

SCHEMBL3041131

COc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KIF20A O95235 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HTR2A P28223 2/20 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
SCHEMBL3052938 0.85 TP53 (0.48) KMT2ANPSR1TP53SMN1; SMN2MTNR1A
SCHEMBL1562284 0.82 TUBB1 (0.62) —
SCHEMBL12610974 0.80 SMN1; SMN2 (0.51) KMT2AHPGDNPSR1TP53SMN1; SMN2
SCHEMBL11545107 0.79 MTNR1A (0.56) KMT2AHPGDMTNR1AMTNR1BMEN1
SCHEMBL7359725 0.79 KDM4E (0.55) KMT2AHPGDMTNR1AMTNR1BMEN1
SCHEMBL5329797 0.77 NR4A2 (0.68) KMT2AMTNR1AMTNR1BMEN1RAB9A
SCHEMBL5102654 0.77 HTR2A (0.52) KMT2AHPGDMTNR1AMTNR1BMEN1
SCHEMBL11791315 0.77 NR4A2 (0.52) KMT2AHPGDMTNR1AMTNR1BMEN1
SCHEMBL26988530 0.75 KMT2A (0.68) KMT2AHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL24995079 0.75 HTR2A (0.51) KMT2AHPGDMTNR1AMTNR1BMEN1

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-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 — — US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 — — US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 — — EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 — — US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 — — US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 — — US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 — — US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 — — EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 — — US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP KMT2A 3928/4885HPGD 382/4885NPSR1 434/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP KMT2A 3928/4885HPGD 382/4885NPSR1 434/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP KMT2A 3928/4885HPGD 382/4885NPSR1 434/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 KMT2A 4100/4885HPGD 419/4885NPSR1 2192/4885

“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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