SCHEMBL5124605

SCHEMBL5124605

[C-]#[N+]/C(C(=O)OCC)=C(\Br)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
F2R P25116 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 7/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5120430 1.00 TSHR (0.42) TSHRF2RKMT2AMEN1HPGD
SCHEMBL5125735 0.85 CASP1 (0.42) TSHRKMT2AMEN1HPGDLMNA
SCHEMBL5124144 0.85 F2R (0.41) TSHRF2RKMT2AMEN1HPGD
SCHEMBL5124143 0.85 F2R (0.41) TSHRF2RKMT2AMEN1HPGD
SCHEMBL5125736 0.85 CASP1 (0.42) TSHRKMT2AMEN1HPGDLMNA
SCHEMBL3492575 0.81 ALDH1A1 (0.49) TSHRKMT2AMEN1MAPTLMNA
SCHEMBL3492571 0.81 ALDH1A1 (0.49) TSHRKMT2AMEN1MAPTLMNA
SCHEMBL6218130 0.80 TSHR (0.47) TSHRF2RKMT2AMEN1HPGD
SCHEMBL6218131 0.80 TSHR (0.47) TSHRF2RKMT2AMEN1HPGD
SCHEMBL16039556 0.76 TSHR (0.53) TSHRF2RKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161573-A1 PROCESS FOR THE PREPARATION OF IMIQUIMOD AND INTERMEDIATES THEREOF DIPHARMA S.P.A. (IT) 2008-07-03 US disclosed
US-7301027-B2 Process for the preparation of Imiquimod and intermediates thereof DIPHARMA S.P.A. (IT) 2007-11-27 US disclosed
US-20050165236-A1 Process for the preparation of Imiquimod and intermediates thereof DIPHARMA S.P.A. (IT) 2005-07-28 US disclosed
EP-1529781-A1 A process for the preparation of Imiquimod and intermediates thereof Dipharma S.p.A. (IT) 2005-05-11 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 (2 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-20080161573-A1 PROCESS FOR THE PREPARATION OF IMIQUIMOD AND INTERMEDIATES THEREOF MYD88, TLR7, MAVS TSHR 4552/4885F2R 2463/4885KMT2A 1184/4885
US-20050165236-A1 Process for the preparation of Imiquimod and intermediates thereof MYD88, TLR7, MAVS TSHR 4585/4885F2R 2472/4885KMT2A 1246/4885

“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.