SCHEMBL5125748

SCHEMBL5125748

[C-]#[N+]/C(C(=O)OCC)=C(\Cl)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 1/20 0.38
HPGD P15428 2/20 0.38
GPR35 Q9HC97 1/20 0.38
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
METTL3 Q86U44 1/20 0.36
GAA P10253 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
SCHEMBL5125753 1.00 CASP1 (0.43) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL5125735 0.85 CASP1 (0.42) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL5125736 0.85 CASP1 (0.42) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL5124144 0.85 F2R (0.41) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL5124143 0.85 F2R (0.41) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL6221214 0.80 TSHR (0.47) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL6221209 0.80 TSHR (0.47) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL5318594 0.76 CES2 (0.59) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL21176924 0.73 CES2 (0.55) CASP1TSHRLMNAMEN1KMT2A
SCHEMBL21065597 0.73 CASP1 (0.56) CASP1TSHRLMNAMEN1KMT2A

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 CASP1 489/4885TSHR 4552/4885LMNA 1612/4885
US-20050165236-A1 Process for the preparation of Imiquimod and intermediates thereof MYD88, TLR7, MAVS CASP1 456/4885TSHR 4585/4885LMNA 1417/4885

“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.