SCHEMBL2419048

SCHEMBL2419048

Nc1ccccc1-c1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ADORA2A P29274 2/20 0.48
NR4A2 P43354 1/20 0.48
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTPRC P08575 1/20 0.43
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 1/20 0.41
PIK3CA P42336 1/20 0.40
PDK2 Q15119 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL30562809 0.84 TSHR (0.54) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL31568871 0.81 TSHR (0.42) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL22046775 0.81 ALDH1A1 (0.42) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL3279467 0.80 ALDH1A1 (0.68) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL17785867 0.80 ALDH1A1 (0.68) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL31568868 0.80 TSHR (0.41) TSHRALDH1A1L3MBTL1ADORA2ANR4A2
SCHEMBL7389021 0.79 ALDH1A1 (0.67) TSHRALDH1A1L3MBTL1ADORA2AHSD17B10
SCHEMBL2469822 0.79 CYP2A6 (0.55) TSHRALDH1A1ADORA2ALMNAKMT2A
SCHEMBL30839753 0.79 TSHR (0.60) TSHRALDH1A1ADORA2ANR4A2HSD17B10
SCHEMBL20345882 0.79 ALDH1A1 (0.59) TSHRALDH1A1L3MBTL1ADORA2ANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601526-A Coordination compound of 2-(2,6-dichlorobenzene) amino benzene acetic acid calcium and preparing method thereof UNIV LUOYANG NORMAL 2016-05-25 CN disclosed
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 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 (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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 TSHR 832/4885ALDH1A1 2629/4885L3MBTL1 4498/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 TSHR 713/4885ALDH1A1 2522/4885L3MBTL1 4125/4885

“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.