SCHEMBL20749433

SCHEMBL20749433

CN1C(=O)c2cc3c(cc2C12CC2)OCO3

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
SCN9A Q15858 2/20 0.37
ACHE P22303 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL19316154 0.81
SCHEMBL20749425 0.73 ACHE (0.41) ACHE
Hydrochloric Acid SCHEMBL20740109 0.73 MAOB (0.40) SCN9AALDH1A1HPGDTSHRHSD17B10
SCHEMBL19315988 0.71 KDM4E (0.46) ACHECYP2D6ALDH1A1KDM4ELMNA
SCHEMBL25452836 0.70 METAP1 (0.38) AKR1B1ACHE
SCHEMBL20672175 0.70 METAP1 (0.38) AKR1B1ACHEKDM4E
SCHEMBL11837511 0.70 NPY5R (0.45) SCN9ACYP2D6KDM4ETSHR
Hydrochloric Acid SCHEMBL16694193 0.70 SCN9A (0.35) SCN9A
SCHEMBL25171185 0.69 BACE1 (0.41) AKR1B1
SCHEMBL22898412 0.69 NR1H2 (0.40) ALDH1A1KDM4ELMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399992-B2 Process for preparing AD-35 ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2019-09-03 US disclosed
US-20190100527-A1 Process For Preparing AD-35 ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2019-04-04 US disclosed
EP-3444253-A1 PROCESS FOR PREPARING AD-35 Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2019-02-20 EP 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 (2 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-20190100527-A1 Process For Preparing AD-35 NAA50, BBOX1, ADSL AKR1B1 586/4885SCN9A 3546/4885ACHE 44/4885
US-10399992-B2 Process for preparing AD-35 NAA50, BBOX1, ADSL AKR1B1 586/4885SCN9A 3546/4885ACHE 44/4885

“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.