SCHEMBL1795495

SCHEMBL1795495

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AVPR1B P47901 3/20 0.40
KMT2A Q03164 1/20 0.39
APP P05067 7/20 0.38
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37

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
Hydrochloric Acid SCHEMBL1794839 0.93 AVPR1B (0.44) KDM4EALDH1A1SMN1; SMN2AVPR1BAPP
SCHEMBL1798403 0.93 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2AVPR1BKMT2A
SCHEMBL1795556 0.92 AVPR1B (0.43) KDM4EALDH1A1SMN1; SMN2AVPR1BKMT2A
SCHEMBL1800605 0.92 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2AVPR1BAPP
SCHEMBL1795582 0.91 SMN1; SMN2 (0.39) KDM4EALDH1A1SMN1; SMN2KMT2AAPP
SCHEMBL1466319 0.91 AVPR1B (0.40) KDM4EALDH1A1SMN1; SMN2AVPR1BKMT2A
SCHEMBL1797627 0.91 AVPR1B (0.46) KDM4EALDH1A1SMN1; SMN2AVPR1BAPP
SCHEMBL1795257 0.91 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2AVPR1BAPP
SCHEMBL1465000 0.91 PKM (0.37) KDM4EALDH1A1SMN1; SMN2AVPR1BKMT2A
SCHEMBL27800666 0.90 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2AVPR1BKMT2A

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 KDM4E 4081/4885ALDH1A1 917/4885SMN1; SMN2 3412/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B KDM4E 4261/4885ALDH1A1 814/4885SMN1; 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.