SCHEMBL6165212

SCHEMBL6165212

COc1cc(Cl)nc(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
PGK1 P00558 3/20 0.39
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 2/20 0.36
MPI P34949 2/20 0.36
MEN1 O00255 1/20 0.36
PMM2 O15305 1/20 0.36
G6PD P11413 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HK1 P19367 1/20 0.36
KMT2A Q03164 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL26287686 0.81 S1PR1 (0.39) S1PR1PGK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL27766866 0.77 HSP90AA1 (0.45) S1PR1PGK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL13313436 0.75 NQO2 (0.46) S1PR1PGK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL21780641 0.74 PGK1 (0.40) S1PR1PGK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL21785001 0.74 PGK1 (0.36) S1PR1PGK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL20241485 0.72 ERN1 (0.43) PGK1HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL30682148 0.72 ERN1 (0.43) PGK1HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL20241602 0.72 KDM4E (0.44) PGK1HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL10639171 0.72 PDE10A (0.34) ALDH1A1KDM4ESMN1; SMN2GPR35MEN1
SCHEMBL31396216 0.72 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2GPR35MEN1

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
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
EP-1109965-B1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2005-06-01 EP disclosed
EP-1109884-B1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2004-09-01 EP disclosed
EP-1433840-A1 Composition and method for bleaching a substrate UNILEVER PLC (GB) 2004-06-30 EP disclosed
US-6649582-B1 Iron 2,11-diaza(3.3)(2,6)pyridinophane derivatives; hydrolytic stability UNILEVER PATENT HOLDINGS B.V. (NL) 2003-11-18 US disclosed
EP-1087969-B1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 2003-04-09 EP disclosed
EP-1109965-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2001-06-27 EP disclosed
EP-1109884-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-06-27 EP disclosed
US-6245115-B1 N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE COMPLEX WITH ACETONITRILE AND PERCHLORIC ACID, WHEREBY THE COMPLEX CATALYSES BLEACHING OF THE TEXTILE BY ATMOSPHERIC OXYGEN UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-06-12 US disclosed
US-6242409-B1 PERCHLORATE IRON COMPLEX OF ACETONITRILE AND N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE, THE COMPLEX CATALYSING BLEACHING OF A SUBSTRATE BY THE ATMOSPHERIC OXYGEN; PEROXY BLEACH FREE. UNILEVER HOME & PERSONAL CARE USA 2001-06-05 US disclosed
EP-1087969-A1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 2001-04-04 EP disclosed
WO-2000012808-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2000-03-09 WO disclosed
WO-2000012667-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-03-09 WO disclosed
WO-1999065905-A1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 1999-12-23 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 (2 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-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV S1PR1 1800/4885PGK1 3100/4885HSP90AA1 854/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV S1PR1 2007/4885PGK1 3040/4885HSP90AA1 778/4885

“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.