SCHEMBL525293

SCHEMBL525293

COc1ccc(-c2coc3c2C(=O)CCC3)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
HMGB1 P09429 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 3/20 0.35

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
SCHEMBL525296 0.80 BRD4 (0.50) MAPTALDH1A1NPSR1KDM4ENPC1
SCHEMBL525555 0.78 BRD4 (0.52) MAPTALDH1A1PPARGKDM4ENPC1
SCHEMBL525075 0.77 TSHR (0.43) HSD17B1MAPTALDH1A1NPSR1PPARG
SCHEMBL525511 0.76 CHRNB4 (0.36) ALDH1A1SMN1; SMN2BRD4
SCHEMBL525730 0.74 SRC (0.43) MAPTALDH1A1NPSR1POLBHPGD
SCHEMBL525732 0.73 ALOX15 (0.42) MAPTALDH1A1NPSR1KDM4ENPC1
SCHEMBL525638 0.72 BRD4 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL525548 0.70 KDM4E (0.38) MAPTKDM4E
SCHEMBL525420 0.70 EGFR (0.43) ALDH1A1KDM4EHPGDEGFR
SCHEMBL525198 0.70 MAPT (0.36) MAPTALDH1A1KDM4EPOLBSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US claimed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US claimed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP claimed
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US disclosed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US disclosed
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP disclosed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP disclosed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 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-20130210886-A1 Novel Derivatives Useful as Antiviral Agents MAVS, IRF3, IFNAR1 HSD17B1 3067/4885MAPT 3852/4885ALDH1A1 1663/4885

“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.