SCHEMBL25547250

SCHEMBL25547250

CC(C)(N)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(CNC[C@H]4C[C@@H](N)C4)cc3)c(=O)n2)CC1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22254283 1.00 ALDH1A1 (0.30) ALDH1A1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL22233641 0.99 — —
SCHEMBL22254315 0.92 CNR2 (0.33) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL22254590 0.90 ALDH1A1 (0.30) ALDH1A1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL22233394 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25532326 0.88 ROCK2 (0.36) ALDH1A1MAPTROCK2
SCHEMBL22255088 0.88 ROCK2 (0.36) ALDH1A1MAPTROCK2
SCHEMBL25556874 0.88 ROCK2 (0.36) ALDH1A1MAPTROCK2
SCHEMBL22253960 0.88 TRPV1 (0.31) —
SCHEMBL22253961 0.88 TRPV1 (0.31) —

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ALDH1A1 3752/4885MAPT 4367/4885MEN1 4216/4885

“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.

Send feedback