SCHEMBL4880171

SCHEMBL4880171

Cc1ccccc1Nc1ccccc1C=C(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.37
SLC2A1 P11166 1/20 0.37
DDX3X O00571 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
SCHEMBL14269555 0.78 ALDH1A1 (0.50) TDP1KDM4ERAB9AALDH1A1MAPT
SCHEMBL4884369 0.78 MAPT (0.45) GAATDP1KDM4ENPC1RAB9A
SCHEMBL14387098 0.77 POLB (0.39) GAATDP1KDM4ENPC1RAB9A
SCHEMBL183017 0.76 HTT (0.59) GAATDP1KDM4ENPC1RAB9A
SCHEMBL10695412 0.76 ALDH1A1 (0.59) GAATDP1KDM4ENPC1RAB9A
SCHEMBL29511793 0.76 HTT (0.59) GAATDP1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3212348 0.73 HTT (0.56) GAATDP1KDM4ENPC1RAB9A
Water SCHEMBL8601906 0.73 HTT (0.56) GAATDP1KDM4ENPC1RAB9A
SCHEMBL1713041 0.73 HTT (0.56) GAATDP1KDM4ENPC1RAB9A
SCHEMBL5327283 0.73 IDO1 (0.41) TDP1KDM4EALDH1A1MAPTLMNA

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 GAA 3431/4885TDP1 3520/4885KDM4E 3829/4885

“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.