SCHEMBL4897742

SCHEMBL4897742

O=C(O)C=Cc1cc(Br)c(OCc2ccccn2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
APP P05067 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 3/20 0.42
KRAS P01116 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL4897739 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4896419 0.81 CYSLTR1 (0.53) RAB9A
SCHEMBL4896426 0.81 CYSLTR1 (0.53) RAB9A
SCHEMBL7742881 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDSMN1; SMN2PKM
SCHEMBL7742884 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDSMN1; SMN2PKM
SCHEMBL4895267 0.78 THRA (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4895271 0.78 THRA (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4900599 0.77 KDM4E (0.50) ALDH1A1KDM4EAPPPKMRAB9A
SCHEMBL4900593 0.77 KDM4E (0.50) ALDH1A1KDM4EAPPPKMRAB9A
SCHEMBL4897130 0.76 THRA (0.62) ALDH1A1KDM4EAPPPKMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 ALDH1A1 962/4885KDM4E 1847/4885HPGD 1059/4885

“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.