SCHEMBL3552397

SCHEMBL3552397

O=C(O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MCHR1 Q99705 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPBWR1 P48145 2/20 0.45

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
SCHEMBL3552399 1.00 MAPT (0.56) MAPTSMN1; SMN2MCHR1TDP1ALDH1A1
SCHEMBL9660476 1.00 MAPT (0.56) MAPTSMN1; SMN2MCHR1TDP1ALDH1A1
Proline SCHEMBL5201122 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2MCHR1TDP1ALDH1A1
Proline SCHEMBL5201120 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2MCHR1TDP1ALDH1A1
SCHEMBL28149835 0.85 MAPT (0.44) MAPTSMN1; SMN2MCHR1TDP1ALDH1A1
SCHEMBL3885054 0.83 MAPT (0.61) MAPTSMN1; SMN2MCHR1ALDH1A1MAPK1
SCHEMBL3554528 0.83 MAPT (0.48) MAPTSMN1; SMN2MCHR1ALDH1A1MAPK1
SCHEMBL3552676 0.83 MAPT (0.50) MAPTMCHR1ALDH1A1MAPK1KMT2A
SCHEMBL3130442 0.83 MCHR1 (0.47) MAPTSMN1; SMN2MCHR1ALDH1A1MAPK1
SCHEMBL3130434 0.83 MCHR1 (0.47) MAPTSMN1; SMN2MCHR1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI MAPT 3632/4885SMN1; SMN2 2427/4885MCHR1 3934/4885

“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.