SCHEMBL641334

SCHEMBL641334

CN1CCC(N2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4cccc5cccnc45)c4cc(Cl)c(Cl)cc43)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
HTR6 P50406 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL641264 0.93 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL642024 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL640097 0.84 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL639781 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL640232 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL641494 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL641333 0.80 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL639890 0.77 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL641205 0.77 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL641204 0.77 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; 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 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 ALDH1A1 586/4885MEN1 43/4885KMT2A 4356/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885MEN1 43/4885KMT2A 4356/4885

“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.