SCHEMBL6346255

SCHEMBL6346255

COc1ccc(Cl)cc1-c1ccc(C(=O)Cl)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.42
TPO P07202 1/20 0.42
ERN1 O75460 1/20 0.42
JAK2 O60674 1/20 0.42
SLC9A1 P19634 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAP2 P11137 1/20 0.40
KCNMA1 Q12791 1/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL6346260 0.87 ALDH1A1 (0.52) ALDH1A1HPGDLMNAMPOTPO
SCHEMBL6344991 0.86 MAPT (0.45) ALDH1A1HPGDMPOSLC9A1NPSR1
SCHEMBL6344217 0.81 MPO (0.46) ALDH1A1HPGDMPOKDM4EMEN1
SCHEMBL257135 0.73 LMNA (0.61) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL21686585 0.72 HPGD (0.52) ALDH1A1HPGDLMNAMPOKDM4E
SCHEMBL21686598 0.72 KDM4E (0.54) ALDH1A1HPGDLMNAKDM4EMEN1
SCHEMBL7699644 0.72 ALDH1A1 (0.56) ALDH1A1HPGDLMNAERN1KDM4E
SCHEMBL2199508 0.71 JAK2 (0.57) ALDH1A1HPGDLMNAMPOTPO
SCHEMBL2410383 0.69 ALDH1A1 (0.57) ALDH1A1HPGDLMNAERN1MEN1
SCHEMBL2200930 0.69 JAK2 (0.52) ALDH1A1LMNAMPOTPOJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis JOHNSON THEODORE O JR (US) 2005-05-12 US disclosed
US-6872745-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 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 (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-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP ALDH1A1 4161/4885HPGD 2825/4885LMNA 505/4885
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis RNASEL, SARNP, RNASEH1 ALDH1A1 3835/4885HPGD 3379/4885LMNA 458/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 ALDH1A1 3708/4885HPGD 2900/4885LMNA 477/4885

“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.