SCHEMBL3552341

SCHEMBL3552341

CC(C)(C)N(C(=O)O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
SIRT6 Q8N6T7 1/20 0.44
HSD11B1 P28845 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3551943 1.00 MAPT (0.50) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL17994179 0.93 MAPT (0.55) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL16398474 0.84 MAPT (0.51) MAPTALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL16398478 0.84 MAPT (0.51) MAPTALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL1749643 0.84 MAPT (0.53) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1749642 0.84 MAPT (0.53) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1534427 0.83 NOTUM (0.55)
SCHEMBL3547081 0.82 ALDH1A1 (0.50) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL1025469 0.82 HTT (0.46) MAPTALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL1025470 0.82 HTT (0.46) MAPTALDH1A1CYP2C9CYP2C19LMNA

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 2 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

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 3632/4885ALDH1A1 320/4885MAPK1 1241/4885

“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.