SCHEMBL3479000

SCHEMBL3479000

CCNS(=O)(=O)c1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
TNNI3K Q59H18 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPK1 P28482 1/20 0.31
VCAM1 P19320 1/20 0.30
HPGD P15428 1/20 0.30
BRD4 O60885 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
SCHEMBL11370619 0.76 PSIP1 (0.32)
SCHEMBL9618200 0.75 KEAP1 (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL25129257 0.72 ALDH1A1 (0.44) ALDH1A1CYP2C9SMN1; SMN2LMNAALOX5AP
SCHEMBL11375532 0.72 LOXL2 (0.37) ALDH1A1CYP2C9KDM4ESMN1; SMN2LMNA
SCHEMBL50986 0.71
SCHEMBL22494208 0.71
SCHEMBL11564165 0.70 LMNA (0.41) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL11564662 0.69 VCAM1 (0.32) VCAM1
SCHEMBL10750316 0.68 GAA (0.43) ALDH1A1KDM4EGAASMN1; SMN2MAPK1
SCHEMBL10563594 0.68 CCR4 (0.37) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104877001-B Antifungal formulations 西尼克斯公司 2020-07-03 CN disclosed
CN-104877001-A Antifungal Agents SCYNEXIS INC 2015-09-02 CN disclosed
CN-102176827-B Antifungal formulations SCYNEXIS INC 2015-05-20 CN disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
CN-102176827-A Antifungal formulations MERCK SHARP & DOHME 2011-09-07 CN disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019204-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 ALDH1A1 678/4885CYP2C9 467/4885KDM4E 3990/4885

“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.