SCHEMBL2070195

SCHEMBL2070195

CCCOC(=O)Nc1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPK1 P28482 2/20 0.71
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
HPGD P15428 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TP53 P04637 2/20 0.58
MAPT P10636 6/20 0.55
KDM4E B2RXH2 2/20 0.55
CASP1 P29466 1/20 0.55
MCL1 Q07820 1/20 0.55
EGFR P00533 2/20 0.50
KDR P35968 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL4237996 0.92 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7562459 0.91 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL27701440 0.90 RAB9A (0.73) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7774668 0.87 NPC1 (0.65) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL6819635 0.87 NPC1 (0.65) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7774579 0.87 NPC1 (0.65) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL854996 0.86 RAB9A (0.61) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL764568 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL10192026 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7562461 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 EP disclosed
US-7368472-B2 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2008-05-06 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 EP disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 US disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO disclosed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 WO 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 SMN1; SMN2 2951/4885ALDH1A1 112/4885MAPK1 1438/4885
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system PMP22, GRIN2B, AVPR1B SMN1; SMN2 81/4885ALDH1A1 112/4885MAPK1 2139/4885

“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.