SCHEMBL5067767

SCHEMBL5067767

COc1cccc(-c2ccn[nH]c2=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 4/20 0.41
HPGD P15428 3/20 0.41
MAPK3 P27361 2/20 0.41
MAP2K1 Q02750 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
RAF1 P04049 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL11363023 0.84 METAP2 (0.45) ALDH1A1MAPK1HPGDTP53CYP1A2
SCHEMBL27659947 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1HPGDTP53CYP1A2
SCHEMBL5071237 0.79 KMT2A (0.40) ALDH1A1MAPK1HPGDMEN1MAPT
SCHEMBL31607623 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1HPGDMAPK3MAP2K1
SCHEMBL2212731 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1HPGDMAPK3MAP2K1
SCHEMBL27659963 0.77 GAA (0.43) ALDH1A1MAPK1MAPTTSHRKDM4E
SCHEMBL5068244 0.76 HSD17B10 (0.48) ALDH1A1MAPK1HPGDTP53CYP1A2
SCHEMBL1456892 0.73 HCAR2 (0.41) ALDH1A1HSD17B10USP2PARP1LMNA
SCHEMBL10560356 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPC1TSHR
SCHEMBL5067708 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 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 (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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 ALDH1A1 431/4885MAPK1 682/4885HPGD 1616/4885

“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.