SCHEMBL3029012

SCHEMBL3029012

Cc1cc(C)cc(CNC(=O)C2(CC(C)C)CCN(Cc3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HTT P42858 3/20 0.52
POLB P06746 2/20 0.50
MME P08473 1/20 0.50
MCHR1 Q99705 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL3043754 0.88 MCHR1 (0.56) ALDH1A1TDP1KDM4EHTTPOLB
SCHEMBL3033257 0.87 ALDH1A1 (0.48) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL14222053 0.86 MEN1 (0.46) LMNAGAAALDH1A1TDP1KDM4E
SCHEMBL3033033 0.84 CYP3A4 (0.49) ALDH1A1TDP1KDM4EHTTPOLB
SCHEMBL13243602 0.84 ALDH1A1 (0.46) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL3034263 0.83 PPARG (0.53) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL3028682 0.76 MCHR1 (0.49) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL3030479 0.76 MCHR1 (0.49) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL3028685 0.76 MCHR1 (0.49) LMNAALDH1A1TDP1KDM4EHTT
SCHEMBL14222519 0.75 MEN1 (0.54) GAAALDH1A1TDP1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 LMNA 2736/4885GAA 3620/4885ALDH1A1 1247/4885

“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.