SCHEMBL6325746

SCHEMBL6325746

O=C(c1ccc([N+](=O)[O-])cc1)n1cccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.57
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
CES2 O00748 1/20 0.55
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
BCHE P06276 1/20 0.53
P2RX4 Q99571 1/20 0.53
POLB P06746 1/20 0.50
MGAM O43451 1/20 0.50
AMY1A P0DUB6 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
SRD5A2 P31213 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL9152022 0.76 CA12 (0.77) CES1CA1CA2ALDH1A1POLB
SCHEMBL17703460 0.74 TSHR (0.69) CES1CA1CA2TDP1CES2
SCHEMBL3895806 0.74 TSHR (0.55) CES1CA1CA2CES2ALDH1A1
SCHEMBL7079684 0.74 KMT2A (0.60) TDP1MAPK1ALDH1A1GAAHPGD
SCHEMBL10723714 0.73 SRD5A2 (0.83) CES1CA1CA2TDP1CES2
SCHEMBL975118 0.73 SRD5A2 (0.83) CES1CA1CA2TDP1CES2
SCHEMBL4603989 0.73 CES1 (1.00) CES1CA1CA2TDP1CES2
SCHEMBL946095 0.73 TSHR (0.48) CES1CA1CA2TDP1CES2
SCHEMBL4724436 0.73 KMT2A (0.75) CA1CA2ALDH1A1POLBHPGD
SCHEMBL31516948 0.73 CA1 (0.59) CES1CA1CA2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 CES1 379/4885CA1 2386/4885CA2 3004/4885

“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.