SCHEMBL5881100

SCHEMBL5881100

Cn1cc(Cc2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 1.00
HTR2A P28223 1/20 0.67
AHR P35869 2/20 0.59
CA2 P00918 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
CMA1 P23946 1/20 0.51
IMPDH2 P12268 2/20 0.50
SLC6A4 P31645 1/20 0.50
PCSK9 Q8NBP7 1/20 0.50
KDM4E B2RXH2 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL12850750 0.88 GPR84 (0.79) GPR84HTR2AAHRCA2KEAP1
SCHEMBL29202652 0.88 GPR84 (0.77) GPR84HTR2AAHRCA2KEAP1
SCHEMBL1094688 0.85 GPR84 (0.74) GPR84HTR2AAHRCA2KEAP1
SCHEMBL256689 0.85 GPR84 (0.74) GPR84HTR2AAHRCA2KEAP1
SCHEMBL1093225 0.84 GPR84 (0.72) GPR84HTR2AAHRCA2KEAP1
SCHEMBL30980816 0.84 GPR84 (0.72) GPR84HTR2AAHRCA2KEAP1
SCHEMBL3093301 0.84 GPR84 (0.71) GPR84HTR2AAHRCA2KEAP1
SCHEMBL3083899 0.84 GPR84 (0.71) GPR84HTR2AAHRCA2KEAP1
SCHEMBL29007213 0.83 GPR84 (0.70) GPR84HTR2AAHRCA2ALDH1A1
SCHEMBL5212531 0.83 HTR2A (0.73) GPR84HTR2AAHRCA2KEAP1

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
CN-114634438-B Preparation method of bisindolyl methane and derivative thereof 兰州大学 2023-05-26 CN disclosed
CN-114634438-A Preparation method of diindolylmethane and derivatives thereof 兰州大学 2022-06-17 CN disclosed
US-7074938-B2 Method for the synthesis of soritin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-11 US disclosed
US-20040147585-A1 Method for the synthesis of Soritin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-29 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-20040147585-A1 Method for the synthesis of Soritin compounds SUCLA2, SUCLG2, SUCNR1 GPR84 4401/4885HTR2A 879/4885AHR 2223/4885

“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.