SCHEMBL23916477

SCHEMBL23916477

COc1cc(-c2ccc(N)cc2-c2nnn[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CTSA P10619 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAOA P21397 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IKBKB O14920 1/20 0.32
XPO1 O14980 2/20 0.32

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
SCHEMBL23915994 0.84 GLA (0.33) RXRARXRBRXRGGAAIKBKB
SCHEMBL20329237 0.81 MAPT (0.44) GAAMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL23916410 0.81 KIF11 (0.44) GAARAB9AKDM4ENPC1
SCHEMBL20329631 0.79 CYP11B1 (0.41) GAAMAPT
SCHEMBL23916421 0.79 KDM4E (0.34) GAAKDM4EHSD17B10PTGS2
SCHEMBL23916022 0.78 NTRK1 (0.36) KDM4EKIT
SCHEMBL23915990 0.78 KDM4E (0.36) GAAKDM4EHSD17B10KIT
SCHEMBL23915988 0.78 CTSS (0.36) GAAABCG2KDM4EHSD17B10
SCHEMBL21071976 0.75 NOTUM (0.36) GAAMAPTKDM4EL3MBTL1
SCHEMBL23916453 0.74 GLA (0.34) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 KDM1A 4098/4885RXRA 1802/4885RXRB 1753/4885

“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.