SCHEMBL17658773

SCHEMBL17658773

Brc1ccc(OCCOCCOc2ccc(Br)nc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 5/20 0.40

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
SCHEMBL31637767 0.91 APP (0.47) CHRNB2CHRNA4TSHRMAPK1SMN1; SMN2
SCHEMBL2656538 0.84 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL29402916 0.84 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL16536086 0.83 CHRNB2 (0.43) CHRNB2CHRNA4NPC1MAPTRAB9A
SCHEMBL3002601 0.82 ALDH1A1 (0.47) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL22117617 0.82 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL20577124 0.82 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL20577017 0.82 CHRNB2 (0.42) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL256095 0.82 CHRNB2 (0.45) CHRNB2CHRNA4MAPK1NPC1MAPT
SCHEMBL15841452 0.82 CHRNB2 (0.42) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 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-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CHRNB2 3537/4885CHRNA4 4023/4885TSHR 4135/4885

“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.