SCHEMBL7122251

SCHEMBL7122251

Brc1cc(Br)c(OCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL7123102 0.93 HRH3 (0.35) ALDH1A1HRH3KDM4ELMNASMN1; SMN2
SCHEMBL7122257 0.91 LMNA (0.32) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL7130577 0.91 ALDH1A1 (0.36) ALDH1A1HRH3KDM4ELMNASMN1; SMN2
SCHEMBL7118543 0.90 HRH3 (0.34) ALDH1A1HRH3
SCHEMBL7123069 0.89 HTR1A (0.33) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL7127897 0.88 HRH3 (0.32) ALDH1A1HRH3
SCHEMBL7124375 0.85 HTR1A (0.33) ALDH1A1SIRT3
SCHEMBL7128154 0.85 HTR1A (0.42) ALDH1A1SMN1; SMN2
SCHEMBL7118092 0.85 HTR1A (0.33) SLC6A2SLC6A4
SCHEMBL7121636 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 ALDH1A1 2108/4885HRH3 787/4885KDM4E 2331/4885

“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.