SCHEMBL29660262

SCHEMBL29660262

O=C(O)c1ccn2c(n1)nc1cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FABP4 P15090 2/20 0.34
PTPN1 P18031 1/20 0.34
PPARG P37231 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
FABP3 P05413 1/20 0.33
FABP2 P12104 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL18548700 1.00 MCL1 (0.39) MCL1KDM4EALDH1A1SMN1; SMN2FABP4
SCHEMBL18548595 0.89 ALDH1A1 (0.38) MCL1KDM4EALDH1A1SMN1; SMN2PTPN1
SCHEMBL29660237 0.81 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL18548667 0.80 RAD51 (0.44) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL29660196 0.79 MGAM (0.46) KDM4EALDH1A1SMN1; SMN2PTPN1ALOX15
SCHEMBL22309751 0.79 MAPT (0.35) MCL1ALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL18548670 0.79 MGAM (0.46) KDM4EALDH1A1SMN1; SMN2PTPN1ALOX15
SCHEMBL22309750 0.75 TP53 (0.36) ALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL27365442 0.74 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2PTPN1
SCHEMBL29660204 0.73 GRM5 (0.42) KDM4EALDH1A1SMN1; SMN2TSHR

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-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 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-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 MCL1 3712/4885KDM4E 4585/4885ALDH1A1 3976/4885

“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.