SCHEMBL4894540

SCHEMBL4894540

BrC(Br)=Cc1ccccc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 1/20 0.45
IDO1 P14902 2/20 0.44
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14269609 0.87 HSD17B10 (0.46) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL5327906 0.82 HSD17B10 (0.41) HSD17B10HPGDIDO1ALDH1A1MAPT
SCHEMBL7812022 0.81 HSD17B10 (0.47) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL5330399 0.79 CA12 (0.42) HSD17B10KDM4ETSHRALDH1A1MEN1
SCHEMBL5327175 0.77 MEN1 (0.48) KDM4EBACE1ALDH1A1THRBMEN1
SCHEMBL16978736 0.77 HSD17B10 (0.53) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL18930965 0.77 HSD17B10 (0.53) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL875144 0.77 HSD17B10 (0.58) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL5322853 0.76 ADRA2C (0.45) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL4725432 0.76 EGFR (0.47) HSD17B10KDM4EHPGDTSHRBACE1

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 7 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
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO 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 HSD17B10 1360/4885KDM4E 3829/4885HPGD 4276/4885

“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.