SCHEMBL18328997

SCHEMBL18328997

C=C1c2ccc3c(c2CN1C)c1cc(C(C)=O)c(O)cc1n3CCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
WEE1 P30291 3/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
CNR2 P34972 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL16131539 0.90 TP53 (0.36) TP53HPGDALDH1A1KDM4ELMNA
SCHEMBL18329002 0.88 NPSR1 (0.34) TP53HPGDALDH1A1KDM4ELMNA
SCHEMBL12608681 0.87 WEE1 (0.43) TP53WEE1CNR2CHEK1
SCHEMBL18328995 0.84 TP53 (0.40) TP53HPGDALDH1A1KDM4ELMNA
SCHEMBL16131566 0.82 TP53 (0.51) TP53HPGDALDH1A1KDM4ELMNA
SCHEMBL16131540 0.78 TP53 (0.35) TP53HPGDALDH1A1LMNAMAPT
SCHEMBL13637211 0.77 WEE1 (0.46) TP53WEE1CNR2CHEK1
SCHEMBL18328950 0.76 ALDH1A1 (0.40) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL12608667 0.76 WEE1 (0.40) TP53WEE1KDRCNR2CHEK1
SCHEMBL18328993 0.74 DYRK1A (0.43) ALDH1A1KDM4EHTTCNR2

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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS KLK3, AR, BRDT TP53 13/4885HPGD 71/4885ALDH1A1 145/4885

“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.