SCHEMBL4986783

SCHEMBL4986783

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(OCc3ccccn3)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SYK P43405 6/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL2828886 0.93 SMN1; SMN2 (0.51) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2829309 0.88 PIM1 (0.48) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2827089 0.87 LMNA (0.46) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2830390 0.86 ALDH1A1 (0.44) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL2829272 0.86 KMT2A (0.52) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2853086 0.86 ALDH1A1 (0.44) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2827476 0.83 KMT2A (0.46) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL2831568 0.83 POLB (0.38) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2829280 0.82 PIM1 (0.46) SMN1; SMN2HTTNPC1RAB9AKDM4E
SCHEMBL2829708 0.82 KMT2A (0.46) SMN1; SMN2HTTNPC1RAB9AKDM4E

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-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 SMN1; SMN2 2521/4885HTT 1743/4885NPC1 1706/4885

“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.