SCHEMBL2701738

SCHEMBL2701738

O=C(Nc1cccc(Cl)c1)c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 4/20 1.00
▸ P2RX1 P51575 3/20 0.77
▸ P2RX4 Q99571 1/20 0.77
▸ P2RX7 Q99572 1/20 0.77
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ TMPRSS4 Q9NRS4 1/20 0.65
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ KCNMA1 Q12791 1/20 0.63
▸ TERT O14746 1/20 0.61
▸ MAOB P27338 1/20 0.60
▸ CBR1 P16152 1/20 0.60
▸ AKR1C3 P42330 1/20 0.60

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
SCHEMBL18327173 0.88 MEN1 (0.79) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL11932152 0.87 P2RX1 (1.00) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL330755 0.87 FADS1 (0.77) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL15778718 0.85 FADS1 (0.74) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL5631068 0.84 P2RX1 (0.77) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL4372468 0.83 P2RX1 (0.71) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL2129113 0.83 FADS1 (0.71) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL472983 0.83 FADS1 (0.78) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL15778871 0.83 FADS1 (0.70) FADS1P2RX1P2RX4P2RX7MEN1
SCHEMBL2308674 0.83 FADS1 (0.70) FADS1P2RX1P2RX4P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2021-12-23 — — US disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 — — WO disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 — — WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
EP-2047850-A2 Methods for treating diseases through inhibition of the function of molecular chaperones such as protein disulfide isomerases , pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents Romark Laboratories, L.C. (US) 2009-04-15 — — EP disclosed
EP-2047850-A2 Methods for treating diseases through inhibition of the function of molecular chaperones such as protein disulfide isomerases , pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents Romark Laboratories, L.C. (US) 2009-04-15 — — EP disclosed
US-20070015803-A1 Methods for treating diseases through interruption of protein maturation, compounds that inhibit the function of molecular chaperones such as protein disulfide isomerases or interfere with glycosylation, pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents ROMARK LABORATORIES L.C. 2007-01-18 — — US disclosed
US-20070015803-A1 Methods for treating diseases through interruption of protein maturation, compounds that inhibit the function of molecular chaperones such as protein disulfide isomerases or interfere with glycosylation, pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents ROMARK LABORATORIES L.C. 2007-01-18 — — US disclosed
US-20070015803-A1 Methods for treating diseases through interruption of protein maturation, compounds that inhibit the function of molecular chaperones such as protein disulfide isomerases or interfere with glycosylation, pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents ROMARK LABORATORIES L.C. 2007-01-18 — — 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-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS HSP90B1, HSP90AB1, HSP90AB2P FADS1 3386/4885P2RX1 3314/4885P2RX4 3806/4885
US-20070015803-A1 Methods for treating diseases through interruption of protein maturation, compounds that inhibit the function of molecular chaperones such as protein disulfide isomerases or interfere with glycosylation, pharmaceutical compositions comprising them, and screening methods for identifying therapeutic agents HSP90B1, HSPA5, P4HB FADS1 3918/4885P2RX1 2998/4885P2RX4 3185/4885
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 FADS1 885/4885P2RX1 3603/4885P2RX4 3583/4885

“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.

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