SCHEMBL11985162

SCHEMBL11985162

CC1CCc2cc([N+](=O)[O-])c(N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 5/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37
CTPS1 P17812 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2246174 0.89 MAPT (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11985165 0.82 MAPT (0.36) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11448502 0.82 MAPT (0.44) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2248302 0.77 MAPT (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1669119 0.77 MAPT (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2246168 0.75 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL12355628 0.75 MAPT (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29119482 0.74 MAPT (0.55) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL22173858 0.74 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL29119439 0.73 DRD2 (0.43) MAPTMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 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-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P MAPT 2025/4885MEN1 4533/4885KMT2A 4184/4885

“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.