SCHEMBL20135620

SCHEMBL20135620

Cc1ccc(C2(C(C)(C)C)NC(=O)NC2=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADAM17 P78536 1/20 0.32
METAP2 P50579 1/20 0.32
AKR1B1 P15121 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL29688347 1.00 B3GNT2 (0.34) B3GNT2GAAMAPTRAB9ACCR1
SCHEMBL20135463 0.73 B3GNT2 (0.36) B3GNT2MAPTADAM17
SCHEMBL29688397 0.72 HPGD (0.38) MAPTADAM17
SCHEMBL20135313 0.72 HPGD (0.38) MAPTADAM17
SCHEMBL542191 0.67 CYP2C9 (0.53) GAAMAPTADAM17AKR1B1
SCHEMBL20135726 0.66 P4HTM (0.38) MAPTAKR1B1
SCHEMBL24281033 0.60 KMT2A (0.53) GAAMAPT
SCHEMBL542561 0.59 LMNA (0.53) MAPTADAM17AKR1B1
SCHEMBL20134878 0.59 LMNA (0.53) MAPTADAM17AKR1B1
SCHEMBL14939789 0.58 CYP2D6 (0.44) MAPTRAB9ACCR1CCR5CCR8

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 B3GNT2 1038/4885GAA 1697/4885MAPT 4505/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 B3GNT2 1394/4885GAA 1645/4885MAPT 4265/4885

“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.