Sugi Predict

Sugi Predict / Compounds / SCHEMBL639916

SCHEMBL639916

SCHEMBL639916

COc1ccc(C(C(=O)N2CCN(c3ccncc3)CC2)n2c(=O)n(S(=O)(=O)c3ccc(C#N)cc3)c3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 6/20 0.41
▸ F10 P00742 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ LMNA P02545 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
SCHEMBL640444 0.94 F10 (0.42) F10ALDH1A1GAACYP3A4HTR6
SCHEMBL639903 0.91 CYP3A4 (0.39) F10CYP3A4CHRM1TSHRMAPK1
SCHEMBL641231 0.91 MAPK1 (0.42) AVPR1BF10ALDH1A1GAACYP3A4
SCHEMBL640193 0.90 AVPR1B (0.43) AVPR1BALDH1A1GAAP2RX7PKM
SCHEMBL641447 0.88 AVPR1B (0.38) AVPR1BF10CYP3A4CHRM1TSHR
SCHEMBL641245 0.88 ROCK2 (0.47) AVPR1BF10ALDH1A1GAACYP3A4
SCHEMBL640089 0.88 MAPK1 (0.42) AVPR1BF10ALDH1A1GAACYP3A4
SCHEMBL642605 0.86 F10 (0.41) F10CYP3A4P2RX7CHRM1MAPT
SCHEMBL642439 0.85 MAPT (0.43) F10ALDH1A1GAACYP3A4HTR6
SCHEMBL641164 0.85 ALDH1A1 (0.46) ALDH1A1PKMSMN1; SMN2L3MBTL1MAPT

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 AVPR1B 2/4885F10 276/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885F10 276/4885ALDH1A1 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.