SCHEMBL21711705

SCHEMBL21711705

Cc1cc(CNC(=O)c2cc(CNC(=O)O)cc(Cl)n2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP13 P45452 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21712097 0.90 TSHR (0.52) WDR5MEN1KMT2AHPGDTSHR
SCHEMBL21712106 0.87 WDR5 (0.51) WDR5MEN1KMT2AMMP13HPGD
SCHEMBL21712098 0.82 WDR5 (0.49) WDR5SMN1; SMN2
SCHEMBL21712099 0.82 WDR5 (0.49) WDR5SMN1; SMN2
SCHEMBL21712079 0.80 WDR5 (0.43) WDR5MEN1KMT2AMMP13HPGD
SCHEMBL21712086 0.80 HPGD (0.43) WDR5MEN1KMT2AMMP13HPGD
SCHEMBL21711932 0.79 WDR5 (0.45) WDR5MEN1KMT2AMMP13HPGD
SCHEMBL21711562 0.79 WDR5 (0.49) WDR5MEN1KMT2AMMP13
SCHEMBL21817242 0.79 TSHR (0.54) WDR5MEN1KMT2AHPGDTSHR
SCHEMBL21711806 0.78 WDR5 (0.44) WDR5MEN1KMT2AMMP13HPGD

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-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 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 (2 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-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 WDR5 1/4885MEN1 468/4885KMT2A 48/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885MEN1 468/4885KMT2A 48/4885

“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.