SCHEMBL3326689

SCHEMBL3326689

CC(=O)Nc1ccc(C(C)=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 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
SCHEMBL18152943 0.89 RAB9A (0.51) ALDH1A1SMN1; SMN2POLBCYP1A2MAPT
SCHEMBL377804 0.87 MYC (0.58) ALDH1A1SMN1; SMN2TDP1HSD17B10POLB
SCHEMBL29229375 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1HSD17B10TP53
SCHEMBL5327455 0.84 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2TDP1HSD17B10POLB
SCHEMBL13206915 0.82 RAB9A (0.42) ALDH1A1SMN1; SMN2POLBCYP1A2MAPT
SCHEMBL7902882 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1HSD17B10POLB
SCHEMBL2336203 0.82 POLB (0.68) ALDH1A1SMN1; SMN2TDP1HSD17B10POLB
SCHEMBL29990241 0.82 POLB (0.68) ALDH1A1SMN1; SMN2TDP1HSD17B10POLB
SCHEMBL31661220 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TDP1HSD17B10TP53
SCHEMBL533801 0.81 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2TP53POLBCYP1A2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
WO-2007138472-A2 TRIAZOLOPYRIDAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-12-06 WO disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 WO disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 WO disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-5374628-A Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5278153-A Hypocholesterolemic or hypolipemic E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
EP-0570706-A1 Aryl and heteroaryl (phosphinylmethyl) phosphonate squalene synthetase inhibitors and method E.R. SQUIBB & SONS, INC. (US) 1993-11-24 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ALDH1A1 1380/4885SMN1; SMN2 3014/4885TDP1 1331/4885

“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.