SCHEMBL7737600

SCHEMBL7737600

COC(=O)c1cccnc1NC=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.50
MAP2K1 Q02750 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13430622 0.83 KMT2A (0.43) KDM4EALDH1A1RAB9ATDP1HPGD
SCHEMBL4556787 0.81 TDP1 (0.54) CNR2KDM4EALDH1A1POLBRAB9A
SCHEMBL5010673 0.81 DHODH (0.60) KDM4EALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL20546008 0.81 KDM4E (0.58) CNR2KDM4EALDH1A1POLBRAB9A
SCHEMBL12426304 0.79 CNR2 (0.60) CNR2KDM4EALDH1A1POLBRAB9A
SCHEMBL10828788 0.79 RAB9A (0.40) KDM4EALDH1A1POLBRAB9ATDP1
SCHEMBL10828785 0.79 RAB9A (0.40) KDM4EALDH1A1POLBRAB9ATDP1
SCHEMBL11492008 0.77 KDM4E (0.54) CNR2KDM4EALDH1A1POLBRAB9A
SCHEMBL28636454 0.77 TDP1 (0.47) CNR2KDM4EALDH1A1POLBRAB9A
SCHEMBL21958052 0.77 TDP1 (0.47) CNR2KDM4EALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872926-A Preparation method of triazole antifungal drug and intermediate thereof 南通诺泰生物医药技术有限公司 2023-03-31 CN disclosed
CN-115772121-A Preparation method of 2-methylamino-3-hydroxymethylpyridine 南通诺泰生物医药技术有限公司 2023-03-10 CN disclosed
CN-104961675-A Preparation method of isavuconazole intermediate CHENGDU SYNS PHARMACEUTICAL TECHNOLOGY CO LTD 2015-10-07 CN disclosed
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 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-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 CNR2 1790/4885KDM4E 291/4885ALDH1A1 3413/4885

“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.