Sugi Predict

Sugi Predict / Compounds / SCHEMBL643055

SCHEMBL643055

SCHEMBL643055

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3cc(I)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MAPT P10636 4/20 0.37
▸ OGT O15294 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 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
SCHEMBL642334 0.92 MAPK1 (0.46) MAPK1ROCK2ALDH1A1PKMGPBAR1
SCHEMBL641231 0.91 MAPK1 (0.42) MAPK1ROCK2ALDH1A1PKMGPBAR1
SCHEMBL640193 0.89 AVPR1B (0.43) MAPK1ROCK2ALDH1A1PKMGPBAR1
SCHEMBL640089 0.88 MAPK1 (0.42) MAPK1ROCK2ALDH1A1PKMGPBAR1
SCHEMBL640444 0.87 F10 (0.42) MAPK1ROCK2ALDH1A1PKMGAA
SCHEMBL641164 0.85 ALDH1A1 (0.46) MAPK1ALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL641245 0.85 ROCK2 (0.47) MAPK1ROCK2ALDH1A1PKMGAA
SCHEMBL641516 0.83 AVPR1B (0.48) MAPK1ALDH1A1PKMGPBAR1GAA
SCHEMBL640278 0.83 CHRM1 (0.45) MAPK1SMN1; SMN2F2F10PRSS1
SCHEMBL640845 0.82 AVPR1B (0.42) ROCK2ALDH1A1PKMGAASMN1; SMN2

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 MAPK1 2454/4885ROCK2 2856/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPK1 2454/4885ROCK2 2856/4885ALDH1A1 586/4885

“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.