SCHEMBL4058341

SCHEMBL4058341

Cc1cc2ccccc2n1COc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 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
SCHEMBL4057306 0.78 HDAC1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL4050254 0.75 LMNA (0.57) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL9483010 0.73 MEN1 (0.61) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL4701221 0.70 NPC1 (0.54) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL668767 0.70 MEN1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL29392085 0.70 MEN1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL4058570 0.70 LMNA (0.52) HTTMAPTSMN1; SMN2LMNATP53
SCHEMBL6821030 0.69 HDAC1 (0.62) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL30049411 0.69 HDAC1 (0.62) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL10993351 0.69 KDM4E (0.54) MEN1KMT2AHTTMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
US-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 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-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 MEN1 1044/4885KMT2A 3913/4885HTT 481/4885

“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.