SCHEMBL4890541

SCHEMBL4890541

Cc1cccc(C=C(Br)Br)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 4/20 0.51
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 1/20 0.38
LMNA P02545 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL24331538 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL16956500 0.81 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL722136 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL14332786 0.77 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL5593393 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL635089 0.75 ALDH1A1 (1.00) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL4063539 0.75 GLO1 (0.54) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL10613251 0.74 MAPT (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL10341377 0.74 MAPT (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL28521563 0.73 ALDH1A1 (0.95) ALDH1A1TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN ALDH1A1 2175/4885TDP1 3520/4885TSHR 409/4885

“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.