SCHEMBL7135779

SCHEMBL7135779

CC=CC(O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.44
MAOB P27338 4/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAOA P21397 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
PTGES O14684 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7135777 1.00 BACE1 (0.48) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7138334 0.87 BACE1 (0.49) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL14191569 0.86 BACE1 (0.50) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL5139856 0.86 BACE1 (0.50) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7084801 0.81 BACE1 (0.47) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL28855392 0.76 BACE1 (0.46) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL3235424 0.76 BACE1 (0.59) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL1663438 0.76 MEN1 (0.57) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL30832846 0.76 MEN1 (0.57) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL1061802 0.75 MAPT (0.56) BACE1MEN1KMT2ANPC1RAB9A

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 BACE1 787/4885MEN1 2440/4885KMT2A 3716/4885

“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.