SCHEMBL4400720

SCHEMBL4400720

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ccncc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 2/20 0.47
MMP2 P08253 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47
MAPK14 Q16539 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL4391476 0.92 KMT2A (0.47) NAMPTSMN1; SMN2MAPK14KMT2APOLB
SCHEMBL5455582 0.87 POLB (0.46) NAMPTKMT2APOLBMEN1HPGD
SCHEMBL4391744 0.86 RAB9A (0.42) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL3816617 0.85 SMN1; SMN2 (0.48) NAMPTSMN1; SMN2CYP3A4MMP2STAT3
SCHEMBL3833079 0.85 POLB (0.39) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL4401748 0.85 NPC1 (0.44) SMN1; SMN2CYP3A4KMT2APOLBCYP1A2
SCHEMBL4397267 0.85 HPGD (0.47) SMN1; SMN2CYP3A4KMT2APOLBMEN1
SCHEMBL3833014 0.85 RAB9A (0.41) NAMPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL4393053 0.84 ADORA2A (0.42) NAMPTKMT2APOLBHPGDNPC1
SCHEMBL4396910 0.84 RAB9A (0.40) SMN1; SMN2KMT2APOLBMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (3 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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 NAMPT 1238/4885SMN1; SMN2 614/4885CYP3A4 4192/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NAMPT 1355/4885SMN1; SMN2 1292/4885CYP3A4 4660/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NAMPT 2406/4885SMN1; SMN2 31/4885CYP3A4 4715/4885

“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.