SCHEMBL3099726

SCHEMBL3099726

CC1c2ccccc2-c2ncccc2N1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.62
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 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
SCHEMBL9377925 0.77 GPR3 (1.00) GPR3PTPN2PTPN1ALDH1A1HSD17B10
SCHEMBL16623745 0.75 JAK2 (0.40) ALDH1A1HSD17B10HTTPTPRCCTSL
SCHEMBL16623753 0.71 JAK2 (0.43) GPR3ALDH1A1HSD17B10HTTPTPRC
SCHEMBL16623853 0.69 JAK2 (0.36) ALDH1A1HSD17B10HTTPTPRCCTSL
SCHEMBL23563149 0.66 GPR3 (0.60) GPR3PTPN2PTPN1ALDH1A1DRD2
SCHEMBL22792110 0.66 GPR3 (0.60) GPR3ALDH1A1HSD17B10HTTHTR2A
SCHEMBL13704044 0.66 GPR3 (0.60) GPR3ALDH1A1HSD17B10HTTHTR2A
SCHEMBL13704120 0.66 GPR3 (0.60) GPR3ALDH1A1HSD17B10HTTHTR2A
SCHEMBL26727451 0.66 GPR3 (0.60) GPR3PTPN2PTPN1ALDH1A1DRD2
SCHEMBL27837606 0.65 KMT2A (0.50) ALDH1A1HSD17B10PTPRCCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799918-B2 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-09-21 US disclosed
US-7799918-B2 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-09-21 US disclosed
US-7799918-B2 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-09-21 US disclosed
US-20080214818-A1 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-09-04 US disclosed
US-20080214818-A1 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-09-04 US disclosed
US-20080214818-A1 Organic metal complexes INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-09-04 US 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-20080214818-A1 Organic metal complexes C5, C9, C1S GPR3 1482/4885PTPN2 3149/4885PTPN1 3177/4885

“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.