SCHEMBL4968052

SCHEMBL4968052

Nc1cc(NS(=O)(=O)c2ccccc2)ccc1NCC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
BDKRB1 P46663 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTR6 P50406 1/20 0.43

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
SCHEMBL4967041 0.97 KDM4E (0.57) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4967027 0.84 FFAR4 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAPKM
SCHEMBL4969033 0.82 FFAR4 (0.49) KDM4EALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL4969247 0.82 HTR6 (0.51) ALDH1A1SMN1; SMN2LMNAPKMHPGD
SCHEMBL4969886 0.82 FFAR4 (0.46) ALDH1A1SMN1; SMN2NPC1LMNAPKM
SCHEMBL4966735 0.81 KMT2A (0.67) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4967937 0.79 HPGD (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4000515 0.77 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1874466 0.74 LMNA (0.72) ALDH1A1TSHRSMN1; SMN2LMNAPKM
SCHEMBL4003328 0.73 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP 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-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 KDM4E 2132/4885ALDH1A1 93/4885TSHR 1967/4885

“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.