SCHEMBL20901375

SCHEMBL20901375

CC(NC(=O)Oc1ccccc1)c1cncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL1277271 0.74 TRPV1 (0.52) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL31370410 0.73 AKR1B1 (0.43)
SCHEMBL8701763 0.73 ALDH1A1 (0.54) SLC1A3LMNAGAAMEN1KMT2A
SCHEMBL9046891 0.73 ALDH1A1 (0.54) SLC1A3LMNAGAAMEN1KMT2A
SCHEMBL8134776 0.73 ALDH1A1 (0.54) SLC1A3LMNAGAAMEN1KMT2A
SCHEMBL6190209 0.72 CSF1R (0.40) LMNAMEN1KMT2ACYP1A2WNT1
SCHEMBL8131978 0.72 SLC1A3 (0.47) SLC1A3CCNE1CDK2CDK5NPC1
SCHEMBL1849668 0.72 SLC1A3 (0.56) SLC1A3CCNE1CDK2CDK5NPC1
SCHEMBL21460379 0.72 KDM4E (0.52) CCNE1CDK2CDK5RAB9AGAA
SCHEMBL20318831 0.72 KDM4E (0.52) CCNE1CDK2CDK5RAB9AGAA

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-10259785-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2019-04-16 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-10259785-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 SLC1A3 4691/4885CCNE1 3130/4885CDK2 1534/4885

“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.