SCHEMBL4987398

SCHEMBL4987398

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(F)c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
PPARG P37231 2/20 0.39
NCOA2 Q15596 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2830537 0.90 KMT2A (0.50) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL2832702 0.89 ADORA3 (0.46) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL2829272 0.86 KMT2A (0.52) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL2829708 0.83 KMT2A (0.46) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL2827089 0.83 LMNA (0.46) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL2828891 0.83 FLT3 (0.49) KMT2AKDM4EMEN1ALDH1A1HTT
SCHEMBL2827053 0.82 KMT2A (0.50) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL2829309 0.80 PIM1 (0.48) KMT2AKDM4EMEN1HSD17B10LMNA
SCHEMBL2825512 0.79 KMT2A (0.52) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL2853086 0.79 ALDH1A1 (0.44) KMT2AKDM4EMEN1LMNAALDH1A1

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-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 KMT2A 2367/4885KDM4E 1096/4885MEN1 4609/4885

“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.