SCHEMBL5820518

SCHEMBL5820518

CCC(=O)Nc1cccc(C(C)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
POLB P06746 2/20 0.72
NR4A1 P22736 1/20 0.72
RAB9A P51151 1/20 0.72
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 1/20 0.66
GAA P10253 1/20 0.65
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 2/20 0.60
ESR1 P03372 1/20 0.60
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL10964661 0.88 L3MBTL1 (0.77) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL11803436 0.88 L3MBTL1 (0.71) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL10970617 0.87 RAB9A (0.85) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL6272750 0.86 HPGD (0.74) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL5524698 0.86 KMT2A (0.71) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL30716404 0.86 KMT2A (0.71) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL5892567 0.86 KMT2A (0.62) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL6580028 0.85 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL9030520 0.85 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1POLBNR4A1
SCHEMBL7932304 0.84 KMT2A (0.60) L3MBTL1KMT2AMEN1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
EP-0208846-B1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID CO (US) 1993-11-18 EP disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
US-4626538-A [7-(3-disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1986-12-02 US disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed
US-4014892-A ANTHELMINTICS AMERICAN CYANAMID COMPANY (US) 1977-03-29 US disclosed
US-3989835-A Method of using 6-substituted amino phenyl-2,3,5,6-tetra-hydro[2,1-b]thiazoles for controlling gastrointestinal nematodes AMERICAN CYANAMID COMPANY (US) 1976-11-02 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 (4 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-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 L3MBTL1 659/4885KMT2A 1289/4885MEN1 1180/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 L3MBTL1 3206/4885KMT2A 3492/4885MEN1 3895/4885
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 L3MBTL1 1658/4885KMT2A 979/4885MEN1 3732/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS L3MBTL1 2530/4885KMT2A 2890/4885MEN1 2653/4885

“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.