SCHEMBL8102961

SCHEMBL8102961

CC(C)(C)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.66
POLB P06746 2/20 0.66
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDR P35968 2/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.57
HDAC6 Q9UBN7 1/20 0.57
RECQL P46063 1/20 0.57

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
SCHEMBL1859001 0.84 SLC40A1 (0.70) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL1982042 0.84 TDP1 (0.61) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL29290746 0.84 KDR (0.60) TDP1POLBMAPTSMN1; SMN2HTT
SCHEMBL22072823 0.84 TDP1 (0.58) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL30631857 0.84 TDP1 (0.58) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL29918706 0.82 TDP1 (0.71) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL5053488 0.82 TDP1 (0.71) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL20370082 0.82 CETP (0.51) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL30685739 0.81 TDP1 (0.54) TDP1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL30685731 0.81 POLB (0.54) TDP1POLBMAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106938985-B 5-site alkenylated 8-acylaminoquinoline compound and one-pot preparation method thereof 湖南大学 2020-05-05 CN claimed
CN-111320579-B Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2021-06-29 CN disclosed
CN-112979545-A Preparation method of 5-selenoquinoline amide or 5-selenoquinoline ester 温州医科大学 2021-06-18 CN disclosed
CN-111320579-A Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2020-06-23 CN disclosed
CN-106938985-B 5-site alkenylated 8-acylaminoquinoline compound and one-pot preparation method thereof 湖南大学 2020-05-05 CN disclosed
CN-106938985-A A kind of 5 amide groups quinolines of alkenyl 8 and its one-pot preparation thereof 湖南大学 2017-07-11 CN disclosed
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 TDP1 2777/4885POLB 751/4885MAPT 2802/4885

“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.