SCHEMBL24378152

SCHEMBL24378152

CCOC(=O)C1CNc2ccc(Br)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HPGD P15428 2/20 0.42
TDP2 O95551 1/20 0.41
HSD17B10 Q99714 1/20 0.39
BCL2 P10415 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
FPR2 P25090 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL750101 0.90 HSD17B10 (0.46) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL2577554 0.87 HSD17B10 (0.48) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL24377968 0.86 HPGD (0.41) KMT2AMEN1POLBHPGDHSD17B10
SCHEMBL12850374 0.85 CYP4F2 (0.43) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL7817324 0.85 POLB (0.52) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL29853923 0.85 POLB (0.52) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL3358045 0.84 ALDH1A1 (0.45) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL24378131 0.82 CYP4F2 (0.46) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL8566461 0.82 HPGD (0.61) KMT2AMEN1POLBCYP4F2CYP4A11
SCHEMBL924887 0.82 HPGD (0.61) KMT2AMEN1POLBCYP4F2CYP4A11

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
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO 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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 KMT2A 464/4885MEN1 4455/4885POLB 2308/4885

“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.