SCHEMBL4473341

SCHEMBL4473341

Brc1ccccc1-n1[c]nnn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNN4 O15554 1/20 0.33
HCAR1 Q9BXC0 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 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
SCHEMBL5128093 0.77 BCHE (0.38) MGLLRAB9AALDH1A1KCNN4
SCHEMBL8626349 0.77 ALDH1A1 (0.42) MGLLALDH1A1MAPTKCNN4GSK3B
SCHEMBL11349994 0.70 KMT2A (0.39) MGLLNPC1RAB9AALDH1A1MAPT
SCHEMBL8513179 0.65 MGLL (0.37) MGLLNPC1RAB9AALDH1A1MAPT
SCHEMBL3260347 0.63 ALDH1A1 (0.58) NPC1ALDH1A1MAPT
SCHEMBL15434896 0.62 MGLL (0.62) MGLLNPC1RAB9AALDH1A1MAPK1
SCHEMBL5546019 0.61 KCNN4 (0.49) MGLLNPC1RAB9AALDH1A1KCNN4
SCHEMBL28456095 0.60 KCNN4 (0.44) MGLLNPC1RAB9AALDH1A1MAPT
SCHEMBL6321042 0.60 KCNN4 (0.44) MGLLNPC1RAB9AALDH1A1MAPT
SCHEMBL8879382 0.60 MAPT (0.46) NPC1RAB9AALDH1A1MAPT

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-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20080207588-A1 Spiro-Heterocyclic Chromans, Thiochromans and Dihydroquinolines CHU DANIEL T W 2008-08-28 US disclosed
US-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC 2006-08-31 US disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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 (3 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-20080207588-A1 Spiro-Heterocyclic Chromans, Thiochromans and Dihydroquinolines CBR3, CBR1, DHRS9 MGLL 1991/4885NPC1 2133/4885RAB9A 611/4885
US-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors NR0B1, ALOX5, ALOX15B MGLL 1290/4885NPC1 3414/4885RAB9A 3178/4885
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 MGLL 284/4885NPC1 1135/4885RAB9A 3169/4885

“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.