SCHEMBL6538522

SCHEMBL6538522

O=C(O)c1ccc(-c2nnc(-c3ccc(OCCCOc4ccccc4)cc3)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.66
PKM P14618 1/20 0.62
HDAC1 Q13547 6/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC6 Q9UBN7 4/20 0.60
CSNK2A2 P19784 3/20 0.53
CSNK2A1 P68400 3/20 0.53
CSNK2B P67870 1/20 0.52
RARB P10826 4/20 0.52
HDAC8 Q9BY41 3/20 0.52
PLA2G4B P0C869 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7322182 0.97 NR1H4 (0.66) NR1H4PKMHDAC1HDAC2HDAC6
SCHEMBL7321811 0.96 HDAC1 (0.66) NR1H4PKMHDAC1HDAC2HDAC6
SCHEMBL6539365 0.89 NR1H4 (0.70) NR1H4CSNK2A2CSNK2A1RARBPLA2G4B
SCHEMBL6538456 0.87 MAPT (0.66) NR1H4HDAC1HDAC2HDAC6HDAC8
SCHEMBL5969241 0.86 RARB (0.72) NR1H4CSNK2A2CSNK2A1RARBPLA2G4B
SCHEMBL7316607 0.85 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6CSNK2A2
SCHEMBL7332564 0.85 RARB (0.75) NR1H4CSNK2A2CSNK2A1RARBPLA2G4B
SCHEMBL7317106 0.85 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6CSNK2A2
SCHEMBL7316179 0.85 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6CSNK2A2
SCHEMBL7341006 0.85 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA NR1H4 3597/4885PKM 1813/4885HDAC1 1974/4885

“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.