SCHEMBL22158946

SCHEMBL22158946

CC(C)(C)[S+]([O-])/N=C/c1ccc2c(ccn2-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.50
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ KCNH2 Q12809 1/20 0.39
▸ BIRC5 O15392 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ PIM1 P11309 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
SCHEMBL22158948 1.00 PLA2G4A (0.50) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL22158950 1.00 PLA2G4A (0.50) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL22159058 0.90 PLA2G4A (0.39) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL22159056 0.90 PLA2G4A (0.39) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL22159055 0.90 PLA2G4A (0.39) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28467538 0.82 CYP2A6 (0.51) CYP2A6
SCHEMBL28467541 0.82 CYP2A6 (0.51) CYP2A6
SCHEMBL30238685 0.82 CYP2A6 (0.51) CYP2A6
SCHEMBL30239589 0.77 ALDH1A1 (0.50) DHODHGPR3MEN1KMT2A
SCHEMBL28460241 0.77 ALDH1A1 (0.50) DHODHGPR3MEN1KMT2A

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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 — — WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — US disclosed
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 PLA2G4A 3788/4885HDAC3 296/4885HDAC4 1225/4885

“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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