Sugi Predict

Sugi Predict / Compounds / SCHEMBL642340

SCHEMBL642340

SCHEMBL642340

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3OC)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccc(Cl)cc43)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL640692 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL640296 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL641401 0.92 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL642438 0.91 DRD2 (0.40) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL641329 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL641507 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL640224 0.89 DRD2 (0.41) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL641825 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL642201 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EDRD2SLC6A4PSEN1
SCHEMBL641704 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EDRD2SLC6A4PSEN1

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 — — US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 — — US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 — — US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 — — 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885DRD2 519/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885DRD2 519/4885

“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.