SCHEMBL4528027

SCHEMBL4528027

CSC(=NC#N)Nc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
TGM2 P21980 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 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
SCHEMBL18856725 0.84 SMN1; SMN2 (0.50) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL16471293 0.82 IDO1 (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL13105581 0.82 IDO1 (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4682234 0.82 TSHR (0.46) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL10452569 0.82 NPC1 (0.50) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL10452571 0.82 NPC1 (0.50) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4682229 0.82 TSHR (0.46) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL4898452 0.80 TP53 (0.50) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL4898451 0.80 TP53 (0.50) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL15544177 0.80 HDAC8 (0.44) MEN1KMT2AGAALMNASMN1; SMN2

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B MEN1 3047/4885KMT2A 2279/4885ALDH1A1 1363/4885

“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.