Sugi Predict

Sugi Predict / Compounds / SCHEMBL639744

SCHEMBL639744

SCHEMBL639744

CN1CCC(N2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(C#N)cc4)c4ccc(Cl)cc43)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ USP5 P45974 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ OGT O15294 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.34
▸ APP P05067 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL639968 0.97 USP5 (0.37) F10DRD2CHRM1USP5KDM4E
SCHEMBL641706 0.97 F10 (0.37) F10DRD2CHRM1USP5KDM4E
SCHEMBL642721 0.94 F10 (0.39) F10CHRM1USP5OGTKDM2B
SCHEMBL639855 0.91 MGLL (0.35) F10KDM4EALDH1A1KDM2B
SCHEMBL639633 0.90 HTR6 (0.36) F10DRD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL642038 0.89 ALDH1A1 (0.43) F10CHRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL640256 0.89 ALDH1A1 (0.40) F10CHRM1KDM4EALDH1A1
SCHEMBL28944402 0.87 F10 (0.35) F10DRD2CHRM1USP5DRD1
SCHEMBL27776792 0.87 F10 (0.35) F10DRD2CHRM1USP5DRD1
SCHEMBL640662 0.86 ALDH1A1 (0.43) F10CHRM1USP5KDM4EALDH1A1

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 6 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
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — WO 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 F10 276/4885DRD2 519/4885CHRM1 112/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885DRD2 519/4885CHRM1 112/4885

“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.