SCHEMBL3770870

SCHEMBL3770870

O=[N+]([O-])c1ncc(Cc2ccccc2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RIPK1 Q13546 1/20 0.37
CYP19A1 P11511 2/20 0.36
CALM1 P0DP23 1/20 0.36
PIN1 Q13526 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL14065337 0.79 PIN1 (0.42) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL12466747 0.78 MAPT (0.37) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL9354810 0.76 CALM1 (0.43) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL3429193 0.73 LMNA (0.47) MAPTKDM4EALDH1A1PIN1RAB9A
SCHEMBL14065340 0.73 ALDH1A1 (0.42) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL1191434 0.72 HTT (0.47) KMT2AALDH1A1CALM1NPC1
SCHEMBL8568534 0.72 CYP19A1 (0.40) MAPTPOLBSMN1; SMN2RIPK1CYP19A1
SCHEMBL31475345 0.71 MAPT (0.47) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14782135 0.70 POLB (0.49) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL25350969 0.70 MAPT (0.42) MAPTPOLBMEN1KMT2ASMN1; SMN2

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-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 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 258/4885POLB 287/4885MEN1 4474/4885

“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.