SCHEMBL4327359

SCHEMBL4327359

Clc1cccc([Mg]I)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PNMT P11086 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
IDO1 P14902 2/20 0.34
GLA P06280 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL6178163 0.79
SCHEMBL164659 0.75 TSHR (0.42) TSHRPNMTCYP1A2CYP2A6LMNA
Hydrochloric Acid SCHEMBL1445738 0.75 TSHR (0.42) TSHRPNMTCYP1A2CYP2A6LMNA
Bromide SCHEMBL1446266 0.75 TSHR (0.42) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL23239 0.71
SCHEMBL3991309 0.71 TSHR (0.61) TSHRPNMTCYP1A2CYP2A6LMNA
Fluoride SCHEMBL28376896 0.68 TSHR (0.58) TSHRPNMTCYP1A2CYP2A6LMNA
SCHEMBL171713 0.68
SCHEMBL1395277 0.68 TSHR (0.58) TSHRPNMTCYP1A2CYP2A6LMNA
Phosphine SCHEMBL22230521 0.68 TSHR (0.58) TSHRPNMTCYP1A2CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
EP-2120938-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 WO disclosed
EP-0800520-B1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE WELLCOME FOUND (GB) 2002-06-19 EP disclosed
US-5925755-A TREATING 2,3-DICHLOROPHENYLGLYOXYLIC ACID (FROM OXIDATION OF 2,3-DICHLOROACETOPHENONE) WITH THIOSEMICARBAZIDE YIELDS 6-(2,3-DICHLOROPHENYL)-5-OXO-3-THIO-1,2,4-TRIAZINE WHICH CAN BE AMINATED, CHLORINATED AND METHYLATED GLAXO WELLCOME INC. (US) 1999-07-20 US disclosed
US-5912345-A CHEMICAL CONDENSATION WITH CYCLIZATION AFTER TREATMENT WITH ULTRAVIOLET OR VISIBLE RADIATION GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0800520-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-15 EP disclosed
EP-0800521-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-15 EP disclosed
WO-1996020935-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-11 WO disclosed
WO-1996020934-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-11 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 TSHR 638/4885PNMT 1779/4885CYP1A2 578/4885

“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.