SCHEMBL4849025

SCHEMBL4849025

CCCC(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
F2 P00734 1/20 0.53
ALOX5 P09917 2/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HGFAC Q04756 1/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 2/20 0.47
ACHE P22303 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 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
SCHEMBL27543803 0.92 BCL9 (0.57) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL5524169 0.91 F2 (0.58) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL7069631 0.90 BCL9 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL4608246 0.89 BCL9 (0.55) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL9168629 0.89 BCL9 (0.55) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL29769253 0.89 BCL9 (0.55) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL9551670 0.88 F2 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL5153071 0.88 ACHE (0.59) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL27606934 0.86 BCL9 (0.54) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL5524165 0.85 F2 (0.53) BCL9CTNNB1KMT2AMAPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
CN-101027283-A 3,4-disubstituted maleimides for use as vascular damaging agents ASTRAZENECA AB (SE) 2007-08-29 CN disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
CN-1283635-C Heterocyclic retinoid compounds HOFFMANN LA ROCHE (CH) 2006-11-08 CN disclosed
CN-1809561-A Phenylacetamides and their use as glucokinase modulators PROSIDION LTD (GB) 2006-07-26 CN disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
CN-1578776-A Heterocyclic retinoid compounds HOFFMANN LA ROCHE (CH) 2005-02-09 CN disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
CN-1150195-C Bicyclic nitrogen heterocycles - 2004-05-19 CN disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO disclosed
CN-1324360-A Bicyclic nitrogen heterocycles HOFFMANN LA ROCHE (CH) 2001-11-28 CN disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN 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-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA BCL9 1683/4885CTNNB1 2358/4885KMT2A 3662/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA BCL9 1683/4885CTNNB1 2358/4885KMT2A 3662/4885

“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.