SCHEMBL959489

SCHEMBL959489

COc1ccc(CCNc2nccc(-c3cccc(NC(=O)c4ccoc4)c3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
HDAC1 Q13547 1/20 0.51
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
ABL1 P00519 5/20 0.46
BCR P11274 5/20 0.46
PRKCA P17252 2/20 0.45
PTGDR Q13258 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MAP2K7 O14733 1/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL959177 0.90 HDAC1 (0.57) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL960600 0.88 MAPT (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL959187 0.86 MAPT (0.69) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL964198 0.84 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL958759 0.84 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL12947675 0.84 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL12947773 0.84 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL962602 0.83 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL12947826 0.83 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL960658 0.83 MAPT (0.55) MAPTMEN1KMT2AALDH1A1MAPK1

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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 (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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MAPT 4154/4885MEN1 4161/4885KMT2A 1314/4885

“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.