SCHEMBL6330879

SCHEMBL6330879

O=c1c2ccccc2[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.82
CTSL P07711 4/20 0.82
PARP1 P09874 2/20 0.59
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GLA P06280 2/20 0.58
HTT P42858 2/20 0.58
HPGD P15428 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
PKM P14618 1/20 0.54
PKLR P30613 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
SCHEMBL6008321 0.92 CTSV (0.69) CTSVCTSLPARP1MEN1KMT2A
SCHEMBL29519210 0.90 CTSV (1.00) CTSVCTSLPARP1ALDH1A1GAA
SCHEMBL21828651 0.90 CTSV (1.00) CTSVCTSLPARP1ALDH1A1GAA
SCHEMBL2439209 0.83 CTSV (0.57) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL6008297 0.82 PARP1 (0.73) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL29993384 0.82 PARP1 (0.73) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL31473183 0.82 CTSV (0.65) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL30272741 0.81 CTSV (0.79) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL151534 0.81 CTSV (0.79) CTSVCTSLPARP1ALDH1A1LMNA
SCHEMBL30272743 0.81 CTSV (0.79) CTSVCTSLPARP1ALDH1A1LMNA

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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP 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 CTSV 1861/4885CTSL 224/4885PARP1 1114/4885

“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.