SCHEMBL16670485

SCHEMBL16670485

NNC(=O)n1ccccc1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
AOC2 O75106 4/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
CTSD P07339 1/20 0.34
PSMB1 P20618 1/20 0.34
FHIT P49789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
TSHR P16473 1/20 0.33
PSMB5 P28074 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1505859 0.77 BCHE (0.39) ALDH1A1MAPTCYP3A4KDM4EKMT2A
SCHEMBL620180 0.76 TSHR (0.37) MAPTPSMB1TSHRPSMB5L3MBTL1
SCHEMBL8698153 0.76 TSHR (0.37) MAPTPSMB1TSHRPSMB5L3MBTL1
SCHEMBL2703082 0.74 MAPT (0.38) ALDH1A1MAPTPSMB1TSHRL3MBTL1
SCHEMBL8723032 0.73 BCHE (0.51) ALDH1A1KDM4EL3MBTL1
SCHEMBL27500883 0.72 POLB (0.36) ALDH1A1MAPTPSMB1TSHRPSMB5
SCHEMBL8677952 0.72 NOTUM (0.48) ALDH1A1GAAKDM4EKMT2ASMN1; SMN2
SCHEMBL23732646 0.71 PSMB1 (0.36) ALDH1A1MAPTPSMB1TSHRL3MBTL1
SCHEMBL558876 0.70 ESR1 (0.34) KDM4EPSMB1TSHR
SCHEMBL6535697 0.69 NOTUM (0.59) MAPTCYP1A2CYP3A4GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
CN-105745193-A Novel antifungal oxodihydropyridinecarbohydrazide derivative 株式会社大熊制药 2016-07-06 CN disclosed
CN-105745193-A Novel antifungal oxodihydropyridinecarbohydrazide derivative 株式会社大熊制药 2016-07-06 CN disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 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-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE PITHD1, HPD, QDPR ALDH1A1 773/4885AOC2 89/4885MAPT 3815/4885

“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.