SCHEMBL1797306

SCHEMBL1797306

CCOc1ccccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
AVPR1B P47901 5/20 0.37
APP P05067 1/20 0.37
CHRM2 P08172 4/20 0.37
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL1800715 0.94 ALDH1A1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL1794528 0.93 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL1795911 0.92 AVPR1B (0.43) ALDH1A1KDM4EAVPR1BCHRM2OXTR
SCHEMBL1799704 0.92 AVPR1B (0.37) ALDH1A1KDM4ELMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1800411 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL1794720 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL1795257 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1794839 0.90 AVPR1B (0.44) ALDH1A1KDM4ESMN1; SMN2AVPR1BAPP
SCHEMBL1796879 0.89 AVPR1B (0.49) ALDH1A1KDM4EAVPR1BCHRM2
Hydrochloric Acid SCHEMBL1794850 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2HTT

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 4081/4885LMNA 3488/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B ALDH1A1 814/4885KDM4E 4261/4885LMNA 3780/4885

“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.