SCHEMBL3711733

SCHEMBL3711733

O=C(Nc1cccc(C(=O)O)c1O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.57
▸ AKR1C4 P17516 1/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TP53 P04637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ RIN1 Q13671 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
SCHEMBL30810156 0.92 DHODH (0.63) DHODHMEN1KMT2APKMNPC1
SCHEMBL5601228 0.87 PKM (0.68) DHODHMEN1KMT2APKMNPC1
SCHEMBL1307525 0.86 DHODH (0.74) DHODHAKR1C3MEN1KMT2APKM
SCHEMBL6154631 0.85 DHODH (0.77) DHODHMEN1KMT2APKMNPC1
SCHEMBL5117801 0.82 POLB (0.57) DHODHMEN1KMT2APKMNPC1
SCHEMBL17769014 0.81 F10 (0.66) MEN1KMT2APKMNPC1RAB9A
SCHEMBL13870857 0.81 DHODH (0.67) DHODHMEN1KMT2APKMNPC1
SCHEMBL3712805 0.79 PTPN11 (0.66) DHODHAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7164649 0.78 DHODH (0.64) DHODHMEN1KMT2APKMNPC1
SCHEMBL30810149 0.77 ALDH1A1 (0.63) DHODHMEN1KMT2APKMNPC1

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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 — — US disclosed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 — — 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 DHODH 734/4885AKR1C4 1562/4885AKR1C3 1423/4885

“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.

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