SCHEMBL5207050

SCHEMBL5207050

NC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.59
CYP19A1 P11511 2/20 0.52
GUSB P08236 2/20 0.49
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
POLB P06746 5/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MAOB P27338 1/20 0.46
NOS1 P29475 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
TSHR P16473 2/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL397642 0.88 HRH4 (0.59) HRH4POLBMAPTKMT2ANOS1
SCHEMBL27885276 0.87 HRH4 (0.61) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL1260652 0.86 HRH4 (0.60) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL1156515 0.86 HRH4 (0.60) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL12824776 0.85 HRH4 (0.54) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL12862878 0.84 HRH4 (0.62) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL8794605 0.84 HRH4 (0.59) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL28680383 0.84 HRH4 (0.59) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL6245500 0.84 KDM4E (0.57) HRH4CYP19A1GUSBPDGFRBPDGFRA
SCHEMBL6323164 0.81 HRH4 (0.58) HRH4CYP19A1GUSBPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171040-A Dihydrofuropyran/pyridoindole derivatives and synthesis method thereof 常州大学 2020-05-19 CN disclosed
EP-2836494-A1 NEW ALKYLATING AGENTS Nerviano Medical Sciences S.r.l. (IT) 2015-02-18 EP disclosed
WO-2013149948-A1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-10 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1776106-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
WO-2006010008-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-26 WO disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 HRH4 1045/4885CYP19A1 503/4885GUSB 2085/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HRH4 1045/4885CYP19A1 503/4885GUSB 2085/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HRH4 1500/4885CYP19A1 805/4885GUSB 2263/4885

“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.