SCHEMBL8189574

SCHEMBL8189574

O=C(Nc1cc(Br)ccc1O)c1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
RXFP1 Q9HBX9 2/20 0.53
HPGD P15428 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
KCNMA1 Q12791 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL17802955 0.86 EGFR (0.52) EGFRKMT2AMEN1RXFP1HPGD
SCHEMBL6814111 0.83 SMN1; SMN2 (0.55) EGFRKMT2ARXFP1HPGDRAB9A
SCHEMBL1367306 0.82 TDP1 (0.65) KMT2AMEN1RXFP1HPGDRAB9A
SCHEMBL17803114 0.82 HTT (0.53) EGFRRXFP1HPGDRAB9ASMN1; SMN2
SCHEMBL8299753 0.78 TDP1 (0.68) KMT2AMEN1RXFP1HPGDRAB9A
SCHEMBL971803 0.78 TDP1 (0.64) EGFRKMT2AMEN1RXFP1HPGD
SCHEMBL9844353 0.77 TDP1 (0.63) KMT2AMEN1RXFP1HPGDRAB9A
SCHEMBL7943952 0.77 KCNMA1 (0.60) KMT2AMEN1HPGDRAB9ASMN1; SMN2
SCHEMBL29777389 0.75 SMN1; SMN2 (0.68) KMT2AMEN1RXFP1HPGDRAB9A
SCHEMBL29777391 0.75 SMN1; SMN2 (0.68) KMT2AMEN1RXFP1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EGFR 2061/4885KMT2A 2275/4885MEN1 2377/4885

“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.