SCHEMBL3497986

SCHEMBL3497986

COC(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
MAPK1 P28482 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
GAA P10253 2/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 2/20 0.62
CASP7 P55210 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.58
HCAR3 P49019 1/20 0.55
AKR1C3 P42330 3/20 0.54
AKR1C2 P52895 3/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL2258175 0.87 ALDH1A1 (0.68) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL11327756 0.85 KMT2A (0.68) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL6653475 0.84 MAPT (0.66) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL16634580 0.84 TDP1 (0.73) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL16634582 0.84 TDP1 (0.73) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL12089421 0.83 HCAR3 (0.75) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL2414416 0.83 PHGDH (0.70) MAPTKMT2AMEN1MAPK1GAA
SCHEMBL11506844 0.83 ALDH1A1 (0.89) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL3914644 0.82 MAPK1 (0.71) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL20733001 0.81 KMT2A (0.51) MAPTKMT2AMEN1MAPK1GAA

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-113004286-B Tricyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
CN-113004286-A Tricyclic compounds as plasma kallikrein inhibitors and uses thereof 成都康弘药业集团股份有限公司 2021-06-22 CN disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 MAPT 1064/4885KMT2A 1090/4885MEN1 1771/4885

“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.