SCHEMBL641333

SCHEMBL641333

CN1CCC(N2CCN(c3ccc(C(C=O)n4c(=O)n(S(=O)(=O)c5cccc6cccnc56)c5cc(Cl)c(Cl)cc54)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 3/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL641334 0.80 ALDH1A1 (0.48) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL641264 0.73 ALDH1A1 (0.45) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL642024 0.72 ALDH1A1 (0.43) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL640097 0.70 MAPT (0.50) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL639781 0.69 ALDH1A1 (0.42) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL5465985 0.68 ALDH1A1 (0.60) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL2953452 0.65 ALDH1A1 (0.77) ALOX15TSHRALDH1A1GAAMEN1
SCHEMBL639890 0.64 MAPT (0.49) MAPTSMN1; SMN2ALOX15MAPK1TSHR
SCHEMBL14183920 0.64 L3MBTL1 (0.71) MAPTSMN1; SMN2ALOX15TSHRALDH1A1
SCHEMBL2961832 0.63 ALDH1A1 (1.00) MAPTSMN1; SMN2ALOX15MAPK1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MAPT 4368/4885SMN1; SMN2 3474/4885ALOX15 1744/4885

“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.