SCHEMBL1066375

SCHEMBL1066375

O=C(O)c1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.77
MAPT P10636 3/20 0.67
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 2/20 0.58
RAB9A P51151 1/20 0.58
PKM P14618 1/20 0.57

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
SCHEMBL3278681 0.92 HCAR3 (0.78) HCAR3MAPTALDH1A1
SCHEMBL10532495 0.91 HCAR3 (0.65) HCAR3MAPTALDH1A1KMT2A
SCHEMBL2688335 0.87 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2ARAB9A
SCHEMBL31555875 0.87 HCAR3 (0.75) HCAR3MAPTALDH1A1KMT2APKM
SCHEMBL112074 0.87 KMT2A (0.70) HCAR3MAPTALDH1A1TSHRTDP1
SCHEMBL27077338 0.87 HCAR3 (0.75) HCAR3MAPTALDH1A1KMT2APKM
SCHEMBL6044176 0.85 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2ARAB9A
SCHEMBL1306790 0.85 MAPT (0.65) HCAR3MAPTALDH1A1TSHRTDP1
SCHEMBL24032 0.84 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2A
SCHEMBL10502410 0.83 HCAR3 (0.74) HCAR3MAPTALDH1A1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0487205-B1 Compositions containing nitroaniline dyes having a carbamide substituent group BRISTOL MYERS SQUIBB CO (US) 1996-08-21 EP disclosed
EP-0487205-A2 Compositions containing nitroaniline dyes having a carbamide substituent group Bristol-Myers Squibb Company (US) 1992-05-27 EP disclosed
US-5042988-A Compositions containing nitroaniline dyes having a carbamide substituent group CLAIROL INCORPORATED (US) 1991-08-27 US disclosed
US-4619666-A Hair dyes containing amino-nitrobenzoic acid or amino-nitrobenzene sulfonic acids as substantive dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-10-28 US disclosed
EP-0170069-A1 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1986-02-05 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HCAR3 1058/4885MAPT 2110/4885ALDH1A1 796/4885

“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.