SCHEMBL31300732

SCHEMBL31300732

Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
CCR2 P41597 9/20 0.48
CCR9 P51686 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
PLA2G2A P14555 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL31300585 0.89 PLA2G2A (0.47) CCR2PTGDR2LMNAMAPTGRIN1
SCHEMBL30622510 0.86 CCR2 (0.55) GPR35CCR2
SCHEMBL30622493 0.86 CCR2 (0.65) GPR35CCR2ALDH1A1TSHR
SCHEMBL20604983 0.86 CCR2 (0.65) GPR35CCR2ALDH1A1TSHR
SCHEMBL4600229 0.85 CCR2 (0.56) GPR35CCR2LMNAGRIN1GRIN2B
SCHEMBL30790905 0.85 CCR2 (0.58) CCR2CCR9PLA2G2AMEN1KMT2A
SCHEMBL30547723 0.85 CCR2 (0.45) GPR35CCR2PTGDR2
SCHEMBL30622586 0.84 GPR35 (0.49) GPR35CCR2CCR9
SCHEMBL30547877 0.84 CCR2 (0.59) GPR35CCR2CCR9ALDH1A1TSHR
SCHEMBL30547881 0.83 GPR35 (0.49) GPR35CCR2CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 GPR35 3148/4885CCR2 1975/4885CCR9 4244/4885

“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.