SCHEMBL6569206

SCHEMBL6569206

O=C(NO)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 1/20 0.59
CYP1A2 P05177 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
HDAC6 Q9UBN7 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC8 Q9BY41 3/20 0.56
SMYD3 Q9H7B4 3/20 0.56
LMNA P02545 2/20 0.53
HDAC2 Q92769 2/20 0.52
ALOX15 P16050 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL6569847 0.90 NPC1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14145483 0.86 RAB9A (0.62) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3135552 0.86 RAB9A (0.62) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3023480 0.86 NPC1 (0.66) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL8660420 0.83 RAB9A (0.70) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL1477302 0.83 RAB9A (0.65) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL13708645 0.83 RAB9A (0.70) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL123652 0.83 NPC1 (0.79) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL241843 0.82 RAB9A (0.83) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3442327 0.82 RAB9A (0.62) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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 (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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 RAB9A 3059/4885NPC1 2721/4885KMT2A 43/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 RAB9A 3059/4885NPC1 2721/4885KMT2A 43/4885

“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.