SCHEMBL4093965

SCHEMBL4093965

COC(=O)c1ccc(Oc2ncc(Br)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.49
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45

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
SCHEMBL3983226 0.84 MAPT (0.58) MAPTLMNAGAAFFAR1L3MBTL1
SCHEMBL26606546 0.83 MAPT (0.54) MAPTCA1CA2LMNAGAA
SCHEMBL3980743 0.82 MEN1 (0.54) MAPTGAAALDH1A1L3MBTL1RAB9A
SCHEMBL21838860 0.82 LMNA (0.65) MAPTCA1CA2LMNAGAA
SCHEMBL4598308 0.82 ALDH1A1 (0.58) MAPTCA1CA2LMNAGAA
SCHEMBL4597669 0.81 ALDH1A1 (0.49) MAPTCA1CA2LMNAGAA
SCHEMBL4597971 0.81 MAPT (0.51) MAPTCA1CA2LMNAGAA
SCHEMBL3977388 0.81 CA1 (0.60) MAPTCA1CA2LMNAGAA
SCHEMBL24125032 0.80 GAA (0.64) MAPTCA1CA2GAAALDH1A1
SCHEMBL6132139 0.80 CA1 (0.62) MAPTCA1CA2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (2 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPT 3432/4885CA1 3985/4885CA2 3388/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 MAPT 3234/4885CA1 3330/4885CA2 2832/4885

“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.