SCHEMBL4252877

SCHEMBL4252877

CC(=O)Nc1nc2ccc(NC(=O)[C]3CCCCCCC3)cc2s1.[CH2].[CH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 1/20 0.61
LDHA P00338 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 5/20 0.56
DYRK1A Q13627 7/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
FSCN1 Q16658 1/20 0.55
PDPK1 O15530 1/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL4253000 0.85 CASP3 (0.61) RAB9AALDH1A1SMN1; SMN2NPC1DYRK1A
SCHEMBL4253988 0.85 MAOA (0.65) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4252873 0.77 CNR1 (0.63) RAB9AALDH1A1KDM4EHPGDPOLB
SCHEMBL30561486 0.74 DYRK1A (0.79) RAB9AALDH1A1HPGDLDHASMN1; SMN2
SCHEMBL19807983 0.74 DYRK1A (0.79) RAB9AALDH1A1HPGDLDHASMN1; SMN2
SCHEMBL10596177 0.74 RAB9A (0.81) RAB9AALDH1A1KDM4EHPGDPOLB
SCHEMBL17856947 0.74 KMT2A (0.92) RAB9AALDH1A1KDM4EHPGDPOLB
SCHEMBL4923582 0.74 RAB9A (0.69) RAB9AALDH1A1KDM4EHPGDPOLB
SCHEMBL1651188 0.74 PIK3CG (0.80) RAB9ALDHASMN1; SMN2NPC1DYRK1A
SCHEMBL10170616 0.73 DYRK1A (1.00) RAB9ASMN1; SMN2NPC1DYRK1ACYP1A2

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-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 US claimed
US-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 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-20090170914-A1 Cermide Kinase Modulation CERS2, CHKB, SPHK2 RAB9A 566/4885ALDH1A1 4781/4885KDM4E 1374/4885

“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.