SCHEMBL5992360

SCHEMBL5992360

O=[N+]([O-])c1cc(-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.60
▸ MAPT P10636 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ DHFR P00374 1/20 0.55
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL2461199 0.98 VCAM1 (0.58) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL1897629 0.90 CRHBP (0.58) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL1896442 0.89 ALDH1A1 (0.53) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL1901253 0.89 VCAM1 (0.53) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL10663504 0.87 MAPT (0.66) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL14956482 0.87 VCAM1 (0.60) VCAM1ALDH1A1
SCHEMBL1065964 0.86 VCAM1 (0.51) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL8569064 0.84 ALDH1A1 (0.53) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL4096354 0.83 DHFR (0.68) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL3973969 0.82 TSHR (0.69) VCAM1MAPTMEN1KMT2AALDH1A1

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
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 — — WO disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 — — 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS VCAM1 931/4885MAPT 2833/4885MEN1 4681/4885

“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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