SCHEMBL7943519

SCHEMBL7943519

O=C(O)c1ccc(-c2nc3cccc(O)c3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 5/20 0.61
KMT2A Q03164 3/20 0.61
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PARP1 P09874 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TNKS O95271 3/20 0.48
GUSB P08236 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL56854 0.84 RAB9A (0.55) KDM4EALDH1A1HPGDKMT2APARP1
SCHEMBL7945644 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL6528644 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL7941257 0.80 KMT2A (0.54) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL2569073 0.78 ERN1 (0.50) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL1664216 0.77 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL5649669 0.77 MAPK8 (0.48) KDM4EHDAC8HDAC6
SCHEMBL5652295 0.77 HTT (0.48) KDM4EALDH1A1HPGDMMP2MMP9
SCHEMBL15958954 0.77 PARP1 (0.62) KDM4EALDH1A1HPGDKMT2APARP1
SCHEMBL7943515 0.77 PARP1 (0.69) KDM4EALDH1A1HPGDKMT2AMMP2

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-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 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 (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-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 KDM4E 2008/4885ALDH1A1 3805/4885HPGD 2515/4885

“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.