SCHEMBL16976900

SCHEMBL16976900

O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3ncccn3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 9/20 0.73
KDM4C Q9H3R0 9/20 0.73
KDM4A O75164 8/20 0.73
KDM4E B2RXH2 6/20 0.73
KDM2A Q9Y2K7 5/20 0.73
KDM3A Q9Y4C1 5/20 0.73
KDM6B O15054 4/20 0.73
P4HA1 P13674 1/20 0.57
KDM5B Q9UGL1 9/20 0.55
KDM4B O94953 4/20 0.55
JMJD6 Q6NYC1 1/20 0.53
KDM5A P29375 5/20 0.52
KMO O15229 1/20 0.49
TET3 O43151 1/20 0.49
BBOX1 O75936 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ASPH Q12797 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49

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
SCHEMBL863220 0.92 KDM5C (0.87) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL449879 0.91 KDM5C (0.68) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL29699785 0.91 KDM5C (0.68) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL7637853 0.91 KDM5C (0.68) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL30892481 0.90 KDM5C (0.66) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL17428028 0.88 KDM4C (0.56) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL10000745 0.85 KDM5C (0.87) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL29766771 0.85 KDM5C (0.87) KDM5CKDM4CKDM4AKDM4EKDM2A
SCHEMBL913277 0.84 KDM4C (1.00) KDM5CKDM4CKDM4AKDM4EKDM2A
Dipyridyl SCHEMBL21551506 0.84 KDM4C (1.00) KDM5CKDM4CKDM4AKDM4EKDM2A

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
EP-2903078-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM CORP (JP) 2017-10-25 EP disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
EP-2903078-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM Corporation (JP) 2015-08-05 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-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE KCNN1, KCNN2, KCNN3 KDM5C 1845/4885KDM4C 1260/4885KDM4A 1540/4885

“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.