SCHEMBL4807507

SCHEMBL4807507

CC(=O)Nc1ccc(Sc2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.55
ITGAV P06756 2/20 0.55
KMT2A Q03164 4/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
ITGA2B P08514 1/20 0.46
ATR Q13535 1/20 0.46

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
SCHEMBL11492345 0.85 NAMPT (0.48) KMT2AHPGDMAPTGAAALDH1A1
SCHEMBL10920706 0.82 NAPRT (0.67) KMT2AHPGDHTTMAPTGAA
SCHEMBL3959278 0.82 SMN1; SMN2 (0.64) KMT2AHPGDHTTMAPTGAA
SCHEMBL49506 0.77 RAB9A (0.65) KMT2AHTTALDH1A1RAB9ANPC1
SCHEMBL29602550 0.77 RAB9A (0.65) KMT2AHTTALDH1A1RAB9ANPC1
SCHEMBL11192637 0.76 NPC1 (0.65) KMT2AHPGDHTTMAPTGAA
SCHEMBL29611891 0.76 NPC1 (0.65) KMT2AHPGDHTTMAPTGAA
SCHEMBL11477235 0.76 CDK8 (0.56) KMT2AHTTMAPTGAAALDH1A1
SCHEMBL30474793 0.76 ALDH1A1 (0.61) KMT2AHPGDHTTMAPTALDH1A1
SCHEMBL11478173 0.76 ALDH1A1 (0.61) KMT2AHPGDHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
EP-1534671-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-10-24 EP disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
US-6888032-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-15 US disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 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 (2 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS ITGB3 908/4885ITGAV 1801/4885KMT2A 834/4885
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS ITGB3 892/4885ITGAV 1697/4885KMT2A 859/4885

“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.