SCHEMBL4872920

SCHEMBL4872920

O=C(Nc1ccc(-c2cc(-c3c(Cl)cccc3Cl)sn2)cc1)C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
PDK1 Q15118 2/20 0.40
SMO Q99835 7/20 0.39
JAK3 P52333 1/20 0.39
CNR1 P21554 2/20 0.39
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGLL Q99685 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4871581 0.92 MAPT (0.43) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4873337 0.79 MAPT (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4869555 0.77 NAMPT (0.43) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4869419 0.76 MAPT (0.60) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4872133 0.76 CNR1 (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4871908 0.69 JAK3 (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4868586 0.69 SMO (0.56) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4865163 0.69 SMO (0.56) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4865624 0.69 PTGES (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4868670 0.69 JAK2 (0.55) MAPTMEN1KMT2AALDH1A1HPGD

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-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 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-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS MAPT 4266/4885MEN1 4165/4885KMT2A 2974/4885

“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.