SCHEMBL3769042

SCHEMBL3769042

COc1cc(Cl)c(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
RAF1 P04049 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KDM4E B2RXH2 2/20 0.46
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 2/20 0.44
G6PD P11413 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL1665799 0.83 MAPT (0.47) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL596707 0.81 KDM4E (0.52) MAPTALDH1A1MAPK1KDM4EKMT2A
SCHEMBL2900847 0.79 MAPT (0.49) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL10981231 0.78 MAPK1 (0.50) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL31503831 0.78 MAPK1 (0.50) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL4068107 0.78 CA1 (0.50) ALDH1A1MAPK1KDM4EAKR1C3AKR1C2
SCHEMBL8679011 0.77 MAPK1 (0.49) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL2894909 0.77 CASP6 (0.53) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL9737315 0.77 CA1 (0.67) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL28043007 0.77 MAPK1 (0.49) MAPTALDH1A1MAPK1LMNAHPGD

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B MAPT 258/4885ALDH1A1 3989/4885MAPK1 1296/4885

“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.