SCHEMBL22790976

SCHEMBL22790976

Oc1c(-c2cc(C(F)(F)F)n[nH]2)ccc(NCc2ccc(Cl)cc2)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.39
WDR48 Q8TAF3 4/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
ADORA2A P29274 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 6/20 0.37
FABP4 P15090 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GYS1 P13807 2/20 0.35
CYP1A2 P05177 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22791169 0.79 NOTUM (0.36) NOTUMGYS1CYP1A2P2RX7
SCHEMBL22791189 0.79 NOTUM (0.36) NOTUMGYS1CYP1A2P2RX7
SCHEMBL22791057 0.78 NOTUM (0.35) NOTUMGYS1CYP1A2
SCHEMBL22791319 0.76 SLC6A4 (0.42) NOTUMGYS1CYP1A2
SCHEMBL21786437 0.76 NOTUM (0.38) NOTUMGYS1CYP1A2
SCHEMBL21786499 0.75 NOTUM (0.40) NOTUMGYS1CYP1A2
SCHEMBL21786431 0.75 NOTUM (0.40) NOTUMGYS1CYP1A2
SCHEMBL22791263 0.75 CA1 (0.41) MAPTP2RX7ALDH1A1
SCHEMBL22791170 0.74 SLC6A4 (0.39) NOTUMGYS1CYP1A2
SCHEMBL22791240 0.74 SLC6A4 (0.40) MAPTTP53NOTUMGYS1CYP1A2

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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 USP1 3940/4885WDR48 1255/4885MAPT 3689/4885

“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.