SCHEMBL10131458

SCHEMBL10131458

CC1(c2ccc(I)cc2)NC(=O)NC1=S

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TNF P01375 1/20 0.35
HTR6 P50406 1/20 0.33
TNKS O95271 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL10131744 0.81 LMNA (0.51) CNR1MEN1KMT2ALMNAHTR6
SCHEMBL13201394 0.68 ALDH1A1 (0.45) CNR1KMT2ALMNAALDH1A1
SCHEMBL3970286 0.67 CNR1 (0.36) CNR1HTR6MMP2MMP9
SCHEMBL6853497 0.66 MMP2 (0.40) MEN1KMT2ALMNAHTR6MMP2
SCHEMBL3968265 0.66 CNR1 (0.39) CNR1HTR6ALDH1A1MMP2MMP9
SCHEMBL20134878 0.64 LMNA (0.53) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL542561 0.64 LMNA (0.53) MEN1KMT2ALMNATNKSALDH1A1
SCHEMBL17570773 0.63 LMNA (0.51) MEN1KMT2ALMNATNKSMMP2
SCHEMBL6135313 0.63 LMNA (0.51) CNR1MEN1KMT2ALMNAHTR6
SCHEMBL542817 0.63 LMNA (0.51) MEN1KMT2ALMNAHTR6TNKS

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CNR1 1621/4885MEN1 1882/4885KMT2A 4446/4885

“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.