SCHEMBL6449030

SCHEMBL6449030

Oc1ccc(Br)cc1-c1nc(-c2ccccn2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.64
SMN1; SMN2 Q16637 10/20 0.57
TP53 P04637 10/20 0.57
PKM P14618 9/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 8/20 0.57
MITF O75030 2/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 5/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
KLF5 Q13887 2/20 0.55
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL6454119 0.89 SMN1; SMN2 (0.58) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL4179210 0.84 GRM5 (0.64) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL4194624 0.84 GRM5 (0.72) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL6454549 0.84 TP53 (0.63) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL6454607 0.84 GRM5 (0.62) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL4198081 0.83 SMN1; SMN2 (0.68) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL13885114 0.82 SMN1; SMN2 (0.57) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL4197833 0.81 NPC1 (0.73) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL6454528 0.81 NPC1 (0.65) GRM5SMN1; SMN2TP53PKMRAB9A
SCHEMBL22658077 0.80 KDM1A (0.54) GRM5SMN1; SMN2TP53MAPTALDH1A1

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
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GRM5 4040/4885SMN1; SMN2 4633/4885TP53 107/4885

“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.