SCHEMBL13807152

SCHEMBL13807152

CC(C)N1c2ccccc2NC1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.38
▸ GAA P10253 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ GFER P55789 1/20 0.31

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
SCHEMBL7876882 0.78 PTPN1 (0.38) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL18753027 0.75 PTPN1 (0.41) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL12502444 0.72 PTPN1 (0.38) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL8395949 0.71 PTPN1 (0.37) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL20260086 0.70 PTPN1 (0.38) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL20805837 0.67 MAPT (0.40) GAABRD4MEN1KMT2AMAPT
SCHEMBL17916655 0.65 GAA (0.35) PTPN1GAASMN1; SMN2BRD4P2RX4
SCHEMBL28770003 0.64 HTR2A (0.34) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL21669400 0.64 GAA (0.35) PTPN1GAASMN1; SMN2IDO1BRD4
SCHEMBL8392735 0.64 IDO1 (0.36) PTPN1GAASMN1; SMN2IDO1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — 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 (2 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 PTPN1 297/4885GAA 3937/4885SMN1; SMN2 4665/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PTPN1 130/4885GAA 339/4885SMN1; SMN2 3273/4885

“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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