SCHEMBL80744

SCHEMBL80744

O=C(O)c1cc(Oc2ccccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TTR P02766 1/20 0.67
PPOX P50336 1/20 0.67
HPGD P15428 1/20 0.55
HPSE Q9Y251 1/20 0.48
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DTYMK P23919 1/20 0.47
PYGL P06737 2/20 0.46
PYGM P11217 2/20 0.46

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
SCHEMBL10784715 0.88 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL87462 0.86 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786312 0.86 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2730973 0.86 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10663721 0.85 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11004062 0.85 MEN1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784186 0.85 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11275207 0.85 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL28090366 0.84 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8764277 0.84 MEN1 (0.81) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116571189-B Preparation process of 5- (2-chloro-4- (trifluoromethyl) phenoxy) -2-nitrobenzoic acid 江苏长青农化南通有限公司 2024-04-02 CN claimed
CN-116571189-A Preparation process of 5- (2-chloro-4- (trifluoromethyl) phenoxy) -2-nitrobenzoic acid 江苏长青农化南通有限公司 2023-08-11 CN claimed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
CN-100503572-C Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2009-06-24 CN disclosed
CN-1675184-A Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2005-09-28 CN disclosed
EP-1539701-A1 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-15 EP disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 WO disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 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 (2 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 TDP1 230/4885MEN1 2371/4885KMT2A 4370/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 TDP1 289/4885MEN1 2896/4885KMT2A 4329/4885

“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.