SCHEMBL4548633

SCHEMBL4548633

CNC(=O)Nc1ccc2cc(C)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
PRMT3 O60678 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
CYP2A6 P11509 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP17A1 P05093 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8325083 0.84 RAB9A (0.71) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL17919672 0.81 TDP1 (0.64) IMPDH2NPC1RAB9APOLBALDH1A1
SCHEMBL28145171 0.81 ALDH1A1 (0.49) IMPDH2NPC1RAB9APOLBALDH1A1
SCHEMBL172125 0.81 ALDH1A1 (0.67) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL15601787 0.80 KIF11 (0.59) IMPDH2NPC1RAB9AALDH1A1MAPT
SCHEMBL16556378 0.79 ALDH1A1 (0.64) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL28506855 0.79 TDP1 (0.60) IMPDH2NPC1RAB9APOLBALDH1A1
SCHEMBL2632867 0.78 SAE1 (0.68) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL25525379 0.77 ALDH1A1 (0.57) IMPDH2NPC1RAB9AALDH1A1MAPT
SCHEMBL24894010 0.77 NPC1 (0.63) NPC1RAB9APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET IMPDH2 762/4885NPC1 143/4885RAB9A 1583/4885

“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.