SCHEMBL30163607

SCHEMBL30163607

COc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TOP1 P11387 1/20 0.48
TOP2A P11388 1/20 0.48
NR1I3 Q14994 1/20 0.42
PIM1 P11309 6/20 0.41
PIM2 Q9P1W9 4/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAT2A P31153 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL16339385 1.00 KDM4E (0.49) KDM4ETOP1TOP2ANR1I3PIM1
SCHEMBL17144042 0.92 TOP1 (0.43) KDM4ETOP1TOP2ANR1I3PIM1
SCHEMBL16374500 0.84 MAPT (0.39) KDM4ETOP1TOP2AMAPTNPC1
SCHEMBL17655673 0.84 KDM4E (0.58) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL21451105 0.84 TOP1 (0.45) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL17655671 0.82 KDM4E (0.52) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL16339120 0.82 KDM4E (0.52) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL30163600 0.81 KDM4E (0.49) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL16338804 0.81 KDM4E (0.49) KDM4ETOP1TOP2APIM1PIM2
SCHEMBL16338785 0.81 KDM4E (0.49) KDM4ETOP1TOP2APIM1PIM2

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-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 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-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK KDM4E 1129/4885TOP1 11/4885TOP2A 20/4885

“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.