SCHEMBL5032649

SCHEMBL5032649

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC(C)C3)c(C)s2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
PDE2A O00408 1/20 0.38
LPAR5 Q9H1C0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL27664668 0.92 POLB (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5035881 0.91 KMT2A (0.39) ALDH1A1NPC1RAB9AHPGDLMNA
SCHEMBL5034690 0.89 CNR1 (0.40) ALDH1A1NPC1RAB9APDE2AKDM4E
SCHEMBL5032584 0.88 HCRTR1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5032530 0.87 HTR2C (0.43) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL5034816 0.86 RAB9A (0.37) ALDH1A1NPC1RAB9AGAATSHR
SCHEMBL5034814 0.86 RAB9A (0.37) ALDH1A1NPC1RAB9AGAATSHR
SCHEMBL5032532 0.86 NPC1 (0.37) ALDH1A1NPC1RAB9AKDM4ETSHR
SCHEMBL5035249 0.86 LMNA (0.38) NPC1RAB9ALMNAGRM5MAPT
SCHEMBL5032648 0.86 ALDH1A1 (0.48) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US 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
US-20040038980-A1 Imidazo-heterobicycles as factor xa inhibitors LAM PATRICK Y (US) 2004-02-26 US disclosed
US-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-23 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 (3 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-20040038980-A1 Imidazo-heterobicycles as factor xa inhibitors SERPINC1, SPINT2, TFPI ALDH1A1 2464/4885NPSR1 1057/4885NPC1 2409/4885
US-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors HABP2, SERPINC1, F7 ALDH1A1 3452/4885NPSR1 1547/4885NPC1 3150/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 ALDH1A1 473/4885NPSR1 39/4885NPC1 313/4885

“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.