SCHEMBL959415

SCHEMBL959415

CCOC(=O)c1cccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CCNT1 O60563 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
MAPT P10636 8/20 0.54
TP53 P04637 2/20 0.54
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
PTGDR Q13258 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC1 Q13547 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48

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
SCHEMBL959130 0.89 PTGDR (0.64) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL1466128 0.87 SYK (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1SYK
SCHEMBL3400297 0.84 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL960342 0.83 NPC1 (0.48) GAAMAPTTP53KDM4ESMN1; SMN2
SCHEMBL959177 0.83 HDAC1 (0.57) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL959187 0.83 MAPT (0.69) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL12918930 0.82 ABL1 (0.55) CCNT1CCNA2CDK2CDK9MAPT
Hydrochloric Acid SCHEMBL962334 0.82 ABL1 (0.54) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL958069 0.82 CCNT1 (0.61) CCNT1CCNA2CDK2CDK9MAPT
SCHEMBL960600 0.81 MAPT (0.54) CCNT1CCNA2CDK2CDK9MAPT

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-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 GAA 4197/4885CCNT1 3526/4885CCNA2 2428/4885

“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.