SCHEMBL7945641

SCHEMBL7945641

Cc1cccc2[nH]c(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.69
GAA P10253 9/20 0.69
SI P14410 9/20 0.69
MGAM2 Q2M2H8 9/20 0.69
HPSE Q9Y251 2/20 0.67
PARP1 P09874 2/20 0.67
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 3/20 0.66
NPC1 O15118 2/20 0.66
TP53 P04637 2/20 0.66
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 2/20 0.66
KMT2A Q03164 1/20 0.59
DHODH Q02127 2/20 0.58
MAPT P10636 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.54

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
SCHEMBL7040235 0.86 MGAM (0.52) MGAMGAASIMGAM2HPSE
SCHEMBL6585826 0.85 HPSE (0.67) MGAMGAASIMGAM2HPSE
SCHEMBL7943515 0.84 PARP1 (0.69) MGAMGAASIMGAM2PARP1
SCHEMBL30615069 0.83 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL5074029 0.83 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL13133302 0.82 MGAM (1.00) MGAMGAASIMGAM2HPSE
SCHEMBL6056826 0.82 MGAM (0.77) MGAMGAASIMGAM2HPSE
SCHEMBL6265383 0.81 HPSE (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL29790551 0.81 PARP1 (1.00) PARP1DHODH
SCHEMBL6529350 0.81 HPSE (1.00) MGAMGAASIMGAM2HPSE

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 3 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

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 MGAM 3387/4885GAA 2677/4885SI 1533/4885

“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.