Sugi Predict

Sugi Predict / Compounds / SCHEMBL1465296

SCHEMBL1465296

SCHEMBL1465296

CCOc1ccccc1C1(NC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2cccs2)c2ccc(OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL1465490 0.92 SMN1; SMN2 (0.38) AVPR1BSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL1465263 0.91 AVPR1B (0.39) AVPR1BALDH1A1GAAMTNR1B
SCHEMBL16857936 0.91 AVPR1B (0.37) AVPR1BSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL1796978 0.91 AVPR1B (0.43) AVPR1BALDH1A1
SCHEMBL1794935 0.91 AVPR1B (0.42) AVPR1BALDH1A1PKMLMNA
SCHEMBL1465538 0.91 GAA (0.38) AVPR1BALDH1A1GAAMTNR1B
Hydrochloric Acid SCHEMBL1797899 0.90 AVPR1B (0.39) AVPR1BALDH1A1PKMMTNR1B
SCHEMBL1799770 0.90 AVPR1B (0.46) AVPR1B
Hydrochloric Acid SCHEMBL1800690 0.89 AVPR1B (0.42) AVPR1BALDH1A1
Hydrochloric Acid SCHEMBL1799735 0.89 ALDH1A1 (0.42) AVPR1BALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-31 — — US disclosed
US-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBOTT GMBH & CO. KG (DE) 2011-03-24 — — US disclosed
US-7902379-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them ABBOTT GMBH & CO. KG (DE) 2011-03-08 — — US 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-20110071156-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885SMN1; SMN2 3286/4885ALDH1A1 913/4885
US-20110077241-A1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM OXTR, AVPR2, AVPR1A AVPR1B 4/4885SMN1; SMN2 3286/4885ALDH1A1 913/4885

“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.