SCHEMBL3258457

SCHEMBL3258457

CCCCCCCCCCCCCCCCN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABCB1 P08183 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3023354 0.93 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3032340 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3023292 0.87 KMT2A (0.47) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3027031 0.87 KMT2A (0.47) SMN1; SMN2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL3032344 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3026410 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3027592 0.84 MEN1 (0.48) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3032609 0.82 MEN1 (0.47) SMN1; SMN2MEN1KMT2AABCB1CYP3A4
SCHEMBL3020822 0.81 MEN1 (0.50) SMN1; SMN2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL3027056 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AABCB1CYP3A4

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 6 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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 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-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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 SMN1; SMN2 4313/4885MEN1 1020/4885KMT2A 984/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SMN1; SMN2 3224/4885MEN1 1851/4885KMT2A 1623/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SMN1; SMN2 3077/4885MEN1 3512/4885KMT2A 2349/4885

“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.