SCHEMBL31028296

SCHEMBL31028296

COC[C@@H](CCCOc1ccc2cc(Br)ccc2c1CO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.47
LMNA P02545 5/20 0.43
RXFP1 Q9HBX9 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
SYK P43405 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24075380 0.81 LMNA (0.48) AAK1LMNARXFP1SMN1; SMN2L3MBTL1
SCHEMBL28821312 0.79 RXFP1 (0.43) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL28821310 0.79 RXFP1 (0.43) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL24075680 0.79 AAK1 (0.44) AAK1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL24075363 0.78 AAK1 (0.43) AAK1SYK
SCHEMBL31028240 0.78 AAK1 (0.43) AAK1SYK
SCHEMBL31028283 0.77 AAK1 (0.43) AAK1SMN1; SMN2KDM4ESYKALDH1A1
SCHEMBL31028291 0.77 AAK1 (0.43) AAK1SMN1; SMN2KDM4ESYKALDH1A1
SCHEMBL24075353 0.77 RXFP1 (0.42) LMNARXFP1SMN1; SMN2L3MBTL1POLB
SCHEMBL24075355 0.74 POLB (0.46) LMNARXFP1SMN1; SMN2L3MBTL1POLB

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-12371434-B2 MLL1 inhibitors and anti-cancer agents CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2025-07-29 US disclosed
EP-4013754-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-07-24 EP 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-12371434-B2 MLL1 inhibitors and anti-cancer agents MLLT1, BMI1, DOT1L AAK1 1076/4885LMNA 2414/4885RXFP1 3476/4885

“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.