SCHEMBL3613665

SCHEMBL3613665

Cc1ccc(C)c2c(C(=O)O)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.46
▸ NOTUM Q6P988 2/20 0.45
▸ CSNK2A1 P68400 5/20 0.44
▸ CSNK2A2 P19784 4/20 0.44
▸ CSNK2B P67870 4/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CLCN2 P51788 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ DNA2 P51530 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ PIM3 Q86V86 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL1465916 0.86 CSNK2A2 (0.54) BRPF1NOTUMCSNK2A1CSNK2A2CSNK2B
SCHEMBL1275907 0.86 ADRA2A (0.50) BRPF1NOTUMCSNK2A1CSNK2A2CSNK2B
SCHEMBL27447876 0.80 BRPF1 (0.42) BRPF1CSNK2A1CSNK2A2CSNK2BCYP1A2
SCHEMBL7515189 0.79 CYP1A2 (0.49) BRPF1NOTUMCSNK2A1CSNK2A2CSNK2B
SCHEMBL3978031 0.76 BRPF1 (0.77) BRPF1CSNK2A1CSNK2A2CSNK2BHSD17B10
SCHEMBL7512239 0.74 DNA2 (0.56) CSNK2A1CSNK2A2CSNK2BCYP1A2HSD17B10
SCHEMBL3995494 0.74 GPR84 (0.51) BRPF1NOTUMCYP1A2HSD17B10NR4A2
SCHEMBL6451616 0.74 HSD17B10 (0.47) NOTUMCSNK2A1CSNK2A2CSNK2BCYP1A2
SCHEMBL14037111 0.74 CSNK2A1 (0.39) BRPF1NOTUMCSNK2A1CSNK2A2CSNK2B
SCHEMBL24762220 0.72 MAPT (0.39) BRPF1CYP1A2NR4A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 — — US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 — — 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 (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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT BRPF1 2584/4885NOTUM 4285/4885CSNK2A1 409/4885

“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.

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