SCHEMBL7129345

SCHEMBL7129345

Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc2[nH]nc(CC(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
CSNK2A1 P68400 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL7141223 0.86 CNR2 (0.41) CNR2MAPTHPGDCNR1LRRK2
SCHEMBL7222533 0.84 CNR2 (0.40) CNR2MAPTHPGDCNR1LRRK2
SCHEMBL7138386 0.83 THRA (0.43) CNR2MAPTHPGDCNR1LRRK2
SCHEMBL7131426 0.83 GSK3B (0.37) LRRK2THRATHRBCSNK2A1MAPK1
SCHEMBL7231405 0.83 THRA (0.35) LRRK2THRATHRBCSNK2A1MAPK1
SCHEMBL7088361 0.80 HTR2A (0.46) THRATHRBMEN1KMT2A
SCHEMBL7229224 0.78 THRA (0.53) THRATHRB
SCHEMBL17253616 0.74 KDM4E (0.46) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL6511402 0.73 THRA (0.57) THRATHRB
SCHEMBL7085611 0.73 THRA (0.53) MAPTCTSVCTSLTHRATHRB

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-6608049-B2 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
EP-1324987-A1 INDAZOLES WITH THYROID HORMON LIKE ACTIVITY, A PROCESS FOR ITS PREPARATION AND ITS USE IN PHARMACEUTICAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2003-07-09 EP disclosed
US-20020193610-A1 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-12-19 US disclosed
WO-2002022586-A1 INDAZOLES HAVING AN ACTION SIMILAR TO THAT OF A THYROID HORMONE, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 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-20020193610-A1 Indazoles CYP3A43, CYP3A5, CYP3A4 CNR2 251/4885MAPT 1385/4885HPGD 369/4885

“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.