SCHEMBL22185621

SCHEMBL22185621

Cc1ccc2[nH]c(=O)c([C@@H](C)N)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.57
▸ KDM4E B2RXH2 11/20 0.54
▸ ALDH1A1 P00352 8/20 0.54
▸ HSD17B10 Q99714 7/20 0.54
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ HPGD P15428 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ PTPN22 Q9Y2R2 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44

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
Hydrochloric Acid SCHEMBL22158939 0.98 DAO (0.55) DAOKDM4EALDH1A1HSD17B10CA12
SCHEMBL22184898 0.87 DAO (0.60) DAOKDM4EALDH1A1HSD17B10CA12
SCHEMBL30064571 0.83 IDH1 (0.56) DAO
SCHEMBL17601343 0.83 IDH1 (0.56) DAO
SCHEMBL17601235 0.83 IDH1 (0.56) DAO
SCHEMBL30064597 0.83 IDH1 (0.56) DAO
SCHEMBL22199005 0.83 CYP19A1 (0.41) DAOKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17601233 0.83 IDH1 (0.56) DAO
Hydrochloric Acid SCHEMBL22158820 0.81 IDH1 (0.40) DAOKDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL17601514 0.81 IDH1 (0.55) DAO

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A DAO 1324/4885KDM4E 936/4885ALDH1A1 149/4885

“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.

Send feedback