SCHEMBL3023474

SCHEMBL3023474

CCCCc1cccc(NC(=O)CC(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
GAA P10253 1/20 0.52
F2R P25116 2/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ADRB2 P07550 1/20 0.49
S1PR1 P21453 4/20 0.49
S1PR4 O95977 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL22525874 0.87 RAB9A (0.53) SMN1; SMN2RAB9ANPC1GAAF2R
SCHEMBL9979106 0.86 S1PR1 (0.53) SMN1; SMN2RAB9ANPC1LMNAKDM4E
SCHEMBL9979341 0.86 S1PR1 (0.53) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL27559352 0.84 HDAC4 (0.52) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL15946032 0.84 HDAC3 (0.63) SMN1; SMN2RAB9ANPC1GAALMNA
SCHEMBL11679320 0.83 POLB (0.68) RAB9ANPC1GAAHPGDKDM4E
SCHEMBL3023471 0.83 POLB (0.56) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL5002993 0.81 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1GAAF2R
SCHEMBL5074115 0.81 RAB9A (0.57) RAB9ANPC1S1PR1S1PR4S1PR3
SCHEMBL14032391 0.80 SELP (0.60) SMN1; SMN2RAB9ANPC1GAAF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (6 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 SMN1; SMN2 3814/4885RAB9A 2502/4885NPC1 2460/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 SMN1; SMN2 4313/4885RAB9A 2782/4885NPC1 1029/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SMN1; SMN2 4812/4885RAB9A 3051/4885NPC1 3333/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SMN1; SMN2 4827/4885RAB9A 3779/4885NPC1 4037/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SMN1; SMN2 3224/4885RAB9A 2323/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SMN1; SMN2 3077/4885RAB9A 3123/4885NPC1 2588/4885

“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.