SCHEMBL10330504

SCHEMBL10330504

Cc1ccccc1C(=O)N(C)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
HPGD P15428 1/20 0.69
MEN1 O00255 2/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 1/20 0.58
HSP90AA1 P07900 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 1/20 0.53

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
SCHEMBL7856179 0.84 KMT2A (0.73) KMT2AHPGDMEN1ALDH1A1TDP1
SCHEMBL2228231 0.83 KMT2A (0.71) KMT2AHPGDMEN1TSHRMAPK1
SCHEMBL20345004 0.82 KMT2A (0.68) KMT2AHPGDMEN1ALDH1A1TDP1
SCHEMBL3455022 0.81 HPGD (1.00) KMT2AHPGDMEN1ALDH1A1TDP1
SCHEMBL31680528 0.81 TDP1 (0.77) KMT2AHPGDMEN1TSHRMAPK1
SCHEMBL13534543 0.81 KMT2A (0.68) KMT2AHPGDMEN1ALDH1A1TDP1
SCHEMBL20366867 0.81 KMT2A (0.68) KMT2AHPGDMEN1TSHRMAPK1
SCHEMBL15343524 0.80 KMT2A (0.67) KMT2AHPGDMEN1TSHRMAPK1
SCHEMBL19204050 0.80 KMT2A (0.67) KMT2AHPGDMEN1TSHRMAPK1
SCHEMBL20269157 0.80 KMT2A (0.68) KMT2AHPGDMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20120184438-A1 FORMULATIONS SYNGENTA CROP PROTECTION, LLC (US) 2012-07-19 US disclosed
US-20120184438-A1 FORMULATIONS SYNGENTA CROP PROTECTION, LLC (US) 2012-07-19 US disclosed
WO-2011010082-A2 FORMULATIONS SYNGENTA LIMITED (GB) 2011-01-27 WO disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20120184438-A1 FORMULATIONS CBR3, H1-5, H1-0 KMT2A 460/4885HPGD 3011/4885MEN1 244/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 KMT2A 1236/4885HPGD 1224/4885MEN1 4542/4885

“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.