SCHEMBL20424005

SCHEMBL20424005

CC(=O)Nc1cccc2c1cnn2C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 3/20 0.40
NR3C1 P04150 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
CASP6 P55212 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL30006635 0.81 TRPV1 (0.53) KMT2AMEN1
SCHEMBL20423769 0.77 TRPV1 (0.48) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL27227995 0.77 NR3C2 (0.44) KMT2AMEN1NR3C2NR3C1NPC1
SCHEMBL24422065 0.75 SCN9A (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL27227801 0.74 NR3C2 (0.38) KMT2ANR3C2NR3C1NPC1RAB9A
SCHEMBL27228052 0.74 NR3C2 (0.45) KMT2ANR3C2NR3C1NPC1RAB9A
SCHEMBL23987011 0.73 KMT2A (0.41) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL27227991 0.73 NR3C2 (0.41) NR3C2NR3C1NPC1RAB9AHTR1A
SCHEMBL21721170 0.72 ALDH1A1 (0.39) ALDH1A1TDP1HPGDKDM4EMAPT
SCHEMBL21721142 0.71 ALDH1A1 (0.38) ALDH1A1TDP1HPGDKDM4EMAPT

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
EP-3357914-B1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORP (JP) 2019-11-20 EP disclosed
EP-3357914-B1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORP (JP) 2019-11-20 EP disclosed
US-10323005-B2 Aromatic compound production method FUJIFILM CORPORATION (JP) 2019-06-18 US disclosed
US-10323005-B2 Aromatic compound production method FUJIFILM CORPORATION (JP) 2019-06-18 US disclosed
EP-3357914-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM Corporation (JP) 2018-08-08 EP disclosed
EP-3357914-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM Corporation (JP) 2018-08-08 EP disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 US disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 US disclosed
US-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2018-08-02 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 (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-20180215716-A1 AROMATIC COMPOUND PRODUCTION METHOD PAH, AHR, TYR ALDH1A1 95/4885TDP1 3679/4885KMT2A 485/4885
US-10323005-B2 Aromatic compound production method PAH, AHR, TYR ALDH1A1 95/4885TDP1 3679/4885KMT2A 485/4885

“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.