SCHEMBL25530100

SCHEMBL25530100

CC(=O)c1ccnn1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NR3C2 P08235 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
PIK3CD O00329 2/20 0.34
KDM4E B2RXH2 1/20 0.33
IL17A Q16552 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 2/20 0.33
FLT1 P17948 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL262347 0.84 ALDH1A1 (0.50) ALDH1A1NR3C2L3MBTL1HTTGAA
Acrylic Acid Methyl Ester SCHEMBL27276427 0.83 ALDH1A1 (0.35) ALDH1A1NR3C2L3MBTL1IL17ANPC1
SCHEMBL17453539 0.82 ALDH1A1 (0.41) ALDH1A1NR3C2L3MBTL1HTTPIK3CD
SCHEMBL1118900 0.82 ALDH1A1 (0.44) ALDH1A1NR3C2L3MBTL1HTTGAA
SCHEMBL9813557 0.82 ALDH1A1 (0.44) ALDH1A1NR3C2L3MBTL1HTTGAA
SCHEMBL2307447 0.82 NR3C2 (0.48) ALDH1A1NR3C2L3MBTL1HTTGAA
SCHEMBL25457912 0.82 ALDH1A1 (0.41) ALDH1A1NR3C2L3MBTL1HTTPIK3CD
SCHEMBL22549347 0.79 BRD4 (0.42) ALDH1A1NR3C2L3MBTL1IL17AKMT2A
SCHEMBL25564431 0.79 ALDH1A1 (0.42) ALDH1A1NR3C2L3MBTL1HTTGAA
SCHEMBL23234281 0.79 BRD4 (0.46) ALDH1A1KDM4EKMT2ACYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed
CN-1016783-B PROMOTING AGENT OF ACTIVITY OF SOME ANTITUMOR AGENT AGAINST VARIOUS KINDS OF TUMOR CELL KYOLIN MEDICINE CO LTD (JP) 1992-05-27 CN disclosed
CN-87101183-A Promotor of antitumor reagent activity and preparation method thereof 1988-06-08 CN 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-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA ALDH1A1 302/4885NR3C2 289/4885L3MBTL1 4694/4885

“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.