SCHEMBL6186591

SCHEMBL6186591

CC(Br)c1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MET P08581 8/20 0.49
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
ALOX15 P16050 1/20 0.44
PLK1 P53350 1/20 0.44

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
Bromide SCHEMBL6333243 0.98 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL7226121 0.86 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL11872356 0.85 NPC1 (0.57) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL112749 0.85 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AHTT
Hydrochloric Acid SCHEMBL27757951 0.84 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL1328999 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL188108 0.82 UGT2B7 (0.56) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL28461636 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL22521436 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT
SCHEMBL21912621 0.82 ALDH1A1 (0.55) ALDH1A1NPC1POLBRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921821-B2 Antagonists of melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 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-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 660/4885NPC1 356/4885POLB 4247/4885

“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.