SCHEMBL8475972

SCHEMBL8475972

COc1cc(OC)c([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
CDK2 P24941 1/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
LMNA P02545 2/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL30926055 0.86 PKM (0.47) PKMKDM4EPOLBL3MBTL1CTDSP1
SCHEMBL11163786 0.86 PKM (0.47) PKMKDM4EPOLBL3MBTL1CTDSP1
SCHEMBL8872230 0.84 PKM (0.55) PKMPOLBTDP1AKR1C3AKR1C2
SCHEMBL1004753 0.83 PKM (0.61) PKMCDK2KDM4EPOLBL3MBTL1
SCHEMBL1116033 0.83 PKM (0.54) PKMKDM4EPOLBL3MBTL1CTDSP1
SCHEMBL6826066 0.82 PKM (0.46) PKMKDM4EPOLBL3MBTL1CTDSP1
SCHEMBL20138627 0.81 CTSV (0.52) PKMPOLBCTSVCTSLALDH1A1
SCHEMBL29876300 0.81 CTSV (0.52) PKMPOLBCTSVCTSLALDH1A1
SCHEMBL5891799 0.78 CYP3A4 (0.50) PKMKDM4EPOLBL3MBTL1CTDSP1
SCHEMBL29740471 0.78 PKM (0.59) PKMCDK2KDM4EPOLBL3MBTL1

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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed
EP-0742208-A1 2-Ureido-benzamide derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 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 (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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 PKM 1898/4885CDK2 1634/4885KDM4E 3917/4885

“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.