SCHEMBL2137298

SCHEMBL2137298

COc1cc(OC)c2nc(-c3ccccc3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
F2RL3 Q96RI0 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL4869817 0.86 APP (0.63) SMN1; SMN2KDM4ERAB9ANPC1PKM
SCHEMBL5946259 0.84 NQO2 (0.49) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL5068352 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL5946180 0.81 TTR (0.42) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL5946279 0.81 SMN1; SMN2 (0.40) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL143850 0.80 ALDH1A1 (0.59) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL6228357 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL5415087 0.76 KDM4E (0.55) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL2138572 0.76 APP (0.74) SMN1; SMN2TDP1KDM4ERAB9AMAPT
SCHEMBL9620827 0.75 KDM4E (0.61) SMN1; SMN2TDP1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR SMN1; SMN2 4152/4885TDP1 4617/4885KDM4E 3428/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR SMN1; SMN2 4152/4885TDP1 4617/4885KDM4E 3428/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR SMN1; SMN2 4152/4885TDP1 4617/4885KDM4E 3428/4885

“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.