SCHEMBL26501075

SCHEMBL26501075

CC(C)C(=O)CCNCCc1cn(C(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
HDAC1 Q13547 2/20 0.31
MIF P14174 1/20 0.31
DDX3X O00571 1/20 0.31
NR2F2 P24468 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL17324236 0.86 CYP19A1 (0.38) CYP19A1MEN1KMT2APOLBHDAC1
SCHEMBL21152290 0.83 CYP19A1 (0.39) CYP19A1MEN1KMT2APOLBHDAC1
SCHEMBL26501113 0.82 HDAC1 (0.37) HDAC1
SCHEMBL19663095 0.79 RECQL (0.41) CYP19A1MEN1KMT2ANR2F2RAB9A
SCHEMBL26501074 0.78 CYP19A1 (0.33) CYP19A1MEN1KMT2APOLBMIF
SCHEMBL16674191 0.76 CYP1A2 (0.41) CYP19A1POLB
SCHEMBL14434944 0.75 CYP19A1 (0.42) CYP19A1POLBMAPT
SCHEMBL20997389 0.74 MEN1 (0.34) CYP19A1MEN1KMT2APOLBDDX3X
SCHEMBL20997178 0.73 ALDH1A1 (0.41) CYP19A1MEN1KMT2AHDAC1MIF
SCHEMBL24233268 0.73 CYP19A1 (0.40) CYP19A1

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS CYP19A1 3822/4885MEN1 1557/4885KMT2A 851/4885

“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.