SCHEMBL3935331

SCHEMBL3935331

COC(=O)Nc1cc(F)c(OC)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TUBB4A P04350 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
SCHEMBL3936374 0.86 HPGD (0.46) HTTPKMHPGDCYP1A2CYP3A4
SCHEMBL3924432 0.84 NPC1 (0.42) HTTPKMHPGDCYP1A2CYP3A4
SCHEMBL3927038 0.82 HPGD (0.46) HTTPKMHPGDCYP3A4RAB9A
SCHEMBL1397668 0.81 HPGD (0.41) HTTHPGDLMNARAB9APOLB
SCHEMBL3932786 0.77 HPGD (0.41) HTTHPGDLMNARAB9APOLB
SCHEMBL4043920 0.75 CFTR (0.41) HTTHPGDRAB9AKMT2AMEN1
SCHEMBL22279549 0.73 HPGD (0.50) HTTPKMHPGDRAB9AKMT2A
SCHEMBL1849504 0.73 KMT2A (0.55) HTTKMT2AMEN1MAPTKDM4E
SCHEMBL30492983 0.73 KMT2A (0.55) HTTKMT2AMEN1MAPTKDM4E
SCHEMBL849646 0.72 HPGD (0.46) HTTPKMHPGDCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP 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-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IDO1, IDO2, TPH1 HTT 1448/4885PKM 943/4885HPGD 158/4885

“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.