SCHEMBL7943515

SCHEMBL7943515

O=C(O)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.69
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
DHODH Q02127 7/20 0.59
GAA P10253 2/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
GLA P06280 1/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL56853 0.84 PARP1 (0.62) PARP1DHODHGAAMGAMSI
SCHEMBL7945641 0.84 MGAM (0.69) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL28840590 0.82 PARP1 (1.00) PARP1DHODH
SCHEMBL29790551 0.82 PARP1 (1.00) PARP1DHODH
SCHEMBL8550824 0.81 PARP1 (0.63) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL30116231 0.80 MGAM (0.68) PARP1KDM4EDHODHGAAMGAM
SCHEMBL19301919 0.80 MGAM (0.68) PARP1KDM4EDHODHGAAMGAM
SCHEMBL7941255 0.80 PKN1 (0.68) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL1664216 0.77 KDM4E (0.97) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL10212028 0.77 DHODH (0.76) PARP1DHODH

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 PARP1 1891/4885KDM4E 2008/4885ALDH1A1 3805/4885

“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.