SCHEMBL16748402

SCHEMBL16748402

CC(=O)NC(CCCN=C(N)N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.68
▸ CHRM4 P08173 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ SLC6A5 Q9Y345 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NOS2 P35228 1/20 0.56
▸ C3AR1 Q16581 10/20 0.56
▸ CA2 P00918 2/20 0.54
▸ CPN1 P15169 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ GNPAT O15228 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL29521677 1.00 CHRM2 (0.68) CHRM2CHRM4CHRM1SLC6A5CYP1A2
Water SCHEMBL30600465 0.98 CHRM2 (0.66) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL14117893 0.88 CHRM2 (0.69) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL3039364 0.84 CYP2C19 (0.58) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL29388277 0.84 CYP2C19 (0.58) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL29546257 0.83 CHRM2 (0.64) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL13337947 0.83 CHRM2 (0.64) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL31110360 0.83 C3AR1 (0.60) CHRM2CHRM4CHRM1SLC6A5CYP1A2
Acetic Acid SCHEMBL29358131 0.82 NPY1R (0.59) CHRM2CHRM4CHRM1SLC6A5CYP1A2
SCHEMBL1735525 0.82 CYP2C19 (0.65) CHRM2CHRM4CHRM1SLC6A5CYP1A2

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-12534439-B2 Xanthohumol derivatives and methods for making and using OREGON STATE UNIVERSITY (US) 2026-01-27 — — US disclosed
CN-119301247-A Treatment of arginase 1 deficiency 伊梅尔迪卡制药公司 2025-01-10 — — CN disclosed
US-20240051922-A1 XANTHOHUMOL DERIVATIVES AND METHODS FOR MAKING AND USING OREGON STATE UNIVERSITY (US) 2024-02-15 — — US disclosed
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2015-05-28 — — 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 (3 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-12534439-B2 Xanthohumol derivatives and methods for making and using MT-CO1, MT-CO2, PC CHRM2 286/4885CHRM4 305/4885CHRM1 249/4885
US-20240051922-A1 XANTHOHUMOL DERIVATIVES AND METHODS FOR MAKING AND USING XDH, PC, TFB2M CHRM2 533/4885CHRM4 386/4885CHRM1 579/4885
US-20150147309-A1 ALLOSTERIC CHAPERONES AND USES THEREOF GAA, GBA3, GBA1 CHRM2 4527/4885CHRM4 4470/4885CHRM1 4648/4885

“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.

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