SCHEMBL3046452

SCHEMBL3046452

CN(C)c1ccc(C(=O)C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
CASP3 P42574 1/20 0.56
CYP1B1 Q16678 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
TLR9 Q9NR96 1/20 0.54
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 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
Water SCHEMBL10350093 0.98 MAPT (0.59) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL10697553 0.81 MAPT (0.59) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL222221 0.81 ALDH1A1 (0.74) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
Water SCHEMBL11592742 0.78 ALDH1A1 (0.70) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
Water SCHEMBL11592745 0.78 ALDH1A1 (0.70) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10783931 0.78 MAPT (0.65) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL14745637 0.78 MAPT (0.68) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL27541103 0.78 MAPT (0.55) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL14745638 0.78 MAPT (0.68) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL11060131 0.78 MAPT (0.65) MAPTALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 EP disclosed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US disclosed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US disclosed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 MAPT 4506/4885ALDH1A1 3966/4885HPGD 1389/4885

“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.