SCHEMBL7231850

SCHEMBL7231850

O=C(O)c1ccc(Oc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.58
PARP15 Q460N3 2/20 0.58
SRD5A2 P31213 4/20 0.56
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
Terephthalic Acid SCHEMBL9861713 0.83 PARP10 (0.78) PARP10PARP15SRD5A2CA1CA2
SCHEMBL5581520 0.83 PARP10 (0.78) PARP10PARP15SRD5A2CA1CA2
SCHEMBL22281 0.83 PARP10 (0.78) PARP10PARP15SRD5A2CA1CA2
SCHEMBL766069 0.83 PARP10 (0.78) PARP10PARP15SRD5A2CA1CA2
Hydrochloric Acid SCHEMBL5042789 0.81 PARP10 (0.75) PARP10PARP15SRD5A2CA1CA2
Hydrochloric Acid SCHEMBL2709951 0.81 PARP10 (0.75) PARP10PARP15SRD5A2CA1CA2
Ammonia Solution, Strong SCHEMBL9436485 0.81 PARP10 (0.75) PARP10PARP15SRD5A2CA1CA2
Hydrochloric Acid SCHEMBL9633355 0.81 PARP10 (0.75) PARP10PARP15SRD5A2CA1CA2
SCHEMBL1270758 0.81 MEN1 (0.56) SRD5A2CA1CA2TP53TSHR
SCHEMBL7229179 0.80 CA1 (0.56) CA1CA2POLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 PARP10 1024/4885PARP15 672/4885SRD5A2 835/4885

“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.