SCHEMBL17833262

SCHEMBL17833262

CCc1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.53
CSNK2A1 P68400 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SLC6A4 P31645 3/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL21131333 0.85 GPR84 (0.75) GPR84CSNK2A1GRIN2DGRIN3BGRIN1
SCHEMBL25058915 0.85 GPR84 (0.65) GPR84CSNK2A1MTNR1AHTR2BHTR2A
SCHEMBL24814499 0.80 MTNR1A (0.48) GPR84CSNK2A1SLC6A4MTNR1AMTNR1B
SCHEMBL23259348 0.79 HTR2A (0.54) GPR84CSNK2A1SLC6A4MTNR1AMTNR1B
SCHEMBL15647319 0.79 KDM4E (0.54) GPR84CSNK2A1SLC6A4MEN1CYP3A4
SCHEMBL8808151 0.78 GPR84 (0.51) GPR84CSNK2A1SLC6A4MTNR1AMTNR1B
SCHEMBL24690447 0.78 HTR2A (0.69) GPR84SLC6A4CYP1A2CYP2D6CYP2C9
SCHEMBL22229850 0.78 HTR2A (0.69) GPR84SLC6A4CYP1A2CYP2D6CYP2C9
SCHEMBL5915286 0.78 ALDH1A1 (0.59) GPR84CSNK2A1SLC6A4MTNR1AMTNR1B
SCHEMBL30776138 0.78 HTR2A (0.69) GPR84SLC6A4CYP1A2CYP2D6CYP2C9

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-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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 (3 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 GPR84 3768/4885CSNK2A1 2994/4885GRIN2D 4802/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 GPR84 3013/4885CSNK2A1 848/4885GRIN2D 4173/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 GPR84 3768/4885CSNK2A1 2994/4885GRIN2D 4802/4885

“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.