SCHEMBL7274061

SCHEMBL7274061

COc1cc(CC#N)cc([N+](=O)[O-])c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL12777062 0.87 ALDH1A1 (0.40) SMN1; SMN2LMNAGAAMAPK1ALDH1A1
SCHEMBL520839 0.82 ALDH1A1 (0.47) SMN1; SMN2LMNAGAAALDH1A1HPGD
SCHEMBL18159198 0.82 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGAAALDH1A1TDP1
SCHEMBL1020821 0.82 PTGS2 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13000171 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13000195 0.80 TTR (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7371195 0.76 VCAM1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10728788 0.76 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2087689 0.76 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31032579 0.76 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851501-B2 Aromatic nitrocatechol compounds and their use for modulating processes mediated by cell adhesion molecules REVOTAR BIOPHARMACEUTICALS AG (DE) 2010-12-14 US disclosed
US-20090105280-A1 Novel Aromatic Nitro Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-04-23 US disclosed
WO-2007039114-A1 NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US disclosed
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 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-20090105280-A1 Novel Aromatic Nitro Compounds SELP, SELE, SELL TUBB4A 2786/4885TUBB 3087/4885TUBA3C 3904/4885

“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.