SCHEMBL4606203

SCHEMBL4606203

Cc1nc(-c2cccc([N+](=O)[O-])c2)[nH]c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.62
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MAPT P10636 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GUSB P08236 2/20 0.56
NPBWR1 P48145 3/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
HCRTR1 O43613 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
Tert-Butyl Formate SCHEMBL27740423 0.88 MMP13 (0.51) MMP13MMP2MMP9MMP8MAPT
SCHEMBL11865580 0.79 MMP13 (0.53) MMP13MMP2MMP9MMP8MAPT
SCHEMBL11602075 0.79 MMP13 (0.53) MMP13MMP2MMP9MMP8MAPT
SCHEMBL11865680 0.79 MMP13 (0.52) MMP13MMP2MMP9MMP8MAPT
SCHEMBL31398155 0.78 MAPT (0.62) MMP13MMP2MMP9MMP8MAPT
SCHEMBL4883623 0.77 GUSB (0.60) MMP13MMP2MMP9MMP8MAPT
SCHEMBL7473542 0.77 MMP13 (0.55) MMP13MMP2MMP9MMP8MAPT
SCHEMBL31474756 0.76 MMP13 (0.68) MMP13MMP2MMP9MMP8MAPT
SCHEMBL28460536 0.76 PIN1 (0.62) MAPTSMN1; SMN2RAB9ANPBWR1ALDH1A1
SCHEMBL28761269 0.75 RAB9A (0.80) MMP13MMP2MMP9MMP8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 MMP13 152/4885MMP2 340/4885MMP9 499/4885

“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.