SCHEMBL3620117

SCHEMBL3620117

CCN(CCOC)Cc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PYCR1 P32322 2/20 0.54
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3612184 0.85 KDM4E (0.54) KDM4EALDH1A1PYCR1HRH3
SCHEMBL14019814 0.84 MEN1 (0.51) HRH3MEN1KMT2A
SCHEMBL14376647 0.83 MCHR1 (0.46) ALDH1A1HRH3MEN1KMT2A
SCHEMBL17230510 0.83 TSHR (0.49)
SCHEMBL615299 0.82 TSHR (0.56) KDM4EMEN1KMT2A
SCHEMBL69821 0.81 PYCR1 (0.69) KDM4EALDH1A1PYCR1HRH3HDAC8
SCHEMBL10187442 0.81 PYCR1 (0.69) KDM4EALDH1A1PYCR1HRH3MEN1
SCHEMBL3618020 0.81 MEN1 (0.40) KDM4EALDH1A1PYCR1MEN1KMT2A
SCHEMBL20548501 0.79 LPL (0.46) HRH3MEN1KMT2AHDAC8HDAC6
SCHEMBL14376811 0.79 CYP2A6 (0.46) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SW) 2010-02-04 US disclosed
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE KDM4E 333/4885ALDH1A1 3513/4885PYCR1 1649/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE KDM4E 333/4885ALDH1A1 3513/4885PYCR1 1649/4885

“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.