SCHEMBL5034878

SCHEMBL5034878

O=C(c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 7/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 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
SCHEMBL27643396 0.93 KMT2A (0.48) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL5032552 0.88 NPC1 (0.45) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL5035137 0.88 CYP3A4 (0.43) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL5032685 0.87 GABRA2 (0.46) KMT2ARAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL5032522 0.87 HTR2C (0.48) KMT2ARAB9AMAPTMEN1LMNA
SCHEMBL5032509 0.86 HPGD (0.42) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL5032645 0.84 CYP3A4 (0.40) KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5034881 0.84 MGLL (0.48) KMT2AMEN1
SCHEMBL5034840 0.84 CYP3A4 (0.37) KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5034664 0.81 KMT2A (0.47) KMT2ARAB9AALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 KMT2A 3489/4885RAB9A 1847/4885MAPT 3183/4885

“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.