SCHEMBL22159263

SCHEMBL22159263

CC(C)(C)[S@+]([O-])N=Cc1cc2cc(Cl)ccc2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 6/20 0.35
MEN1 O00255 6/20 0.35
NPC1 O15118 5/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 7/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17601056 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL22159261 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL17601055 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL17601123 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL31754349 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL17601058 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL22159328 0.88 KDM4E (0.54) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL22159330 0.88 KDM4E (0.54) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL22159326 0.88 KDM4E (0.54) KDM4EALDH1A1KMT2ARAB9AMEN1
SCHEMBL22158947 0.87 KDM4E (0.39) KDM4EALDH1A1KMT2AL3MBTL1RAB9A

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
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

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 KDM4E 936/4885ALDH1A1 149/4885KMT2A 482/4885

“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.