Sugi Predict

Sugi Predict / Compounds / SCHEMBL1800715

SCHEMBL1800715

SCHEMBL1800715

CCOc1ccccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAPK7 Q13164 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL1797306 0.94 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1799704 0.93 AVPR1B (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1800605 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1795105 0.90 AVPR1B (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1795495 0.90 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1795257 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1795911 0.89 AVPR1B (0.43) ALDH1A1KDM4ECHRM2
SCHEMBL1799057 0.88 AVPR1B (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL1794528 0.87 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1799829 0.85 AVPR1B (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 — — US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 — — US disclosed
US-7951807-B2 Substituted oxindol derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2011-05-31 — — US disclosed
US-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-01 — — 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-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same OXTR, AVPR2, AVPR1B ALDH1A1 917/4885KDM4E 4081/4885SMN1; SMN2 3412/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B ALDH1A1 814/4885KDM4E 4261/4885SMN1; SMN2 3923/4885

“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.