SCHEMBL501711

SCHEMBL501711

COc1cc(OCc2ccccc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.60
GABRA5 P31644 1/20 0.54
ALOX5 P09917 1/20 0.50
CYP3A4 P08684 1/20 0.49
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MAOA P21397 1/20 0.46
BCHE P06276 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MEN1 O00255 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL14745014 0.88 GABRA5 (0.61) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL2176479 0.88 MAOB (0.58) MAOBGABRA5ALOX5CYP3A4BCHE
SCHEMBL30825708 0.87 MAOB (0.60) MAOBGABRA5PDGFRBPDGFRABCHE
SCHEMBL2175219 0.86 GABRA5 (0.60) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL16782973 0.85 GABRA5 (0.56) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL27032783 0.84 MAOB (0.61) MAOBALOX5CYP3A4PDGFRBPDGFRA
SCHEMBL24998828 0.80 GABRA5 (0.48) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL9005108 0.80 GABRA5 (0.48) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL1563949 0.79 MAOB (0.54) MAOBGABRA5ALOX5CYP3A4MAOA
SCHEMBL15779670 0.79 MAOB (0.59) MAOBALOX5CYP3A4MAOABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368081-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-07-09 CN disclosed
CN-106800551-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-05-11 CN disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE MEDSHINE DISCOVERY INC. (CN) 2018-12-06 US disclosed
EP-3381912-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE Heilongjiang Zhenbaodao Pharmaceutical Co., Ltd. (CN) 2018-10-03 EP disclosed
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
CN-102341386-A Pyridine derivative DAIICHI SANKYO CO LTD 2012-02-01 CN disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 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 (5 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAOB 1020/4885GABRA5 3990/4885ALOX5 760/4885
US-10717720-B2 Modified compound of andrographolide CYP11B2, CYP11B1, DUSP23 MAOB 2671/4885GABRA5 1224/4885ALOX5 953/4885
US-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA MAOB 2757/4885GABRA5 1142/4885ALOX5 1646/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA MAOB 2757/4885GABRA5 1142/4885ALOX5 1646/4885
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE CYP11B2, CYP11B1, DUSP23 MAOB 2671/4885GABRA5 1224/4885ALOX5 953/4885

“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.