SCHEMBL4298832

SCHEMBL4298832

CCOC(C/N=C/c1ccc(Br)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ LMNA P02545 7/20 0.37
▸ MAPT P10636 5/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ HTT P42858 3/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ATM Q13315 2/20 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
SCHEMBL1681425 1.00 KMT2A (0.40) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL29348746 0.83 KMT2A (0.37) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL15024204 0.80 KMT2A (0.38) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL15006859 0.80 KMT2A (0.38) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL16764497 0.76 GAA (0.48) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL16764502 0.76 GAA (0.48) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL16764540 0.75 AMY1A (0.48) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL16764538 0.75 AMY1A (0.48) KMT2AMEN1TAAR1LMNAMAPT
SCHEMBL15445350 0.73 MEN1 (0.32) KMT2AMEN1TAAR1CYP1A2CYP2C19
SCHEMBL2239443 0.73 MEN1 (0.32) KMT2AMEN1TAAR1CYP1A2CYP2C19

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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 — — 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KMT2A 2620/4885MEN1 1165/4885TAAR1 2985/4885

“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.

Send feedback