SCHEMBL3042003

SCHEMBL3042003

CC1(C)Cc2cc(Nc3cccc(NC(=O)CC4CC4)c3)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 2/20 0.44
MAPK14 Q16539 8/20 0.44
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3058462 0.87 MAPK14 (0.44) NPC1TDP1RAB9ACYP1A2CYP3A4
SCHEMBL3056347 0.85 MAPK14 (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4507706 0.81 MAPK14 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL27706475 0.79 MAPK14 (0.43) NPC1TDP1RAB9ACYP1A2CYP3A4
SCHEMBL3063392 0.77 MAPK14 (0.50) TDP1MAPK14KMT2AMEN1
SCHEMBL3051761 0.76 AKR1C3 (0.47) RAB9AMAPK14KMT2AMEN1
SCHEMBL3059142 0.75 MAPK14 (0.64) NPC1TDP1RAB9AMAPK14KMT2A
SCHEMBL27706506 0.71 KIF11 (0.57) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL3054278 0.70 MAPK14 (0.59) NPC1RAB9AHPGDSMN1; SMN2MAPK14
SCHEMBL5138721 0.70 MAPK14 (0.47) NPC1RAB9ACYP1A2HPGDMAPK14

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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US claimed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 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 (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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 NPC1 2144/4885TDP1 1060/4885RAB9A 1460/4885

“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.