SCHEMBL2138133

SCHEMBL2138133

COc1ccc2oc(NN)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
FAAH O00519 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
CA2 P00918 1/20 0.44
NQO2 P16083 2/20 0.43
APP P05067 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43

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
SCHEMBL23932900 0.81 RAB9A (0.44) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL33525300 0.80 IL6 (0.61) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL10987102 0.78 LMNA (0.56) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL31119218 0.78 LMNA (0.56) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL2893374 0.77 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL4748135 0.77 FAAH (0.49) SMN1; SMN2FAAH
SCHEMBL1121546 0.77 FAAH (0.52) FAAHLMNAALDH1A1KDM4ETP53
SCHEMBL5228689 0.76 RAB9A (0.61) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL29447082 0.76 RAB9A (0.61) SMN1; SMN2RAB9AMEN1KMT2APOLB
SCHEMBL13025272 0.76 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AMEN1KMT2APOLB

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 4152/4885RAB9A 2254/4885MEN1 3325/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR SMN1; SMN2 4152/4885RAB9A 2254/4885MEN1 3325/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR SMN1; SMN2 4152/4885RAB9A 2254/4885MEN1 3325/4885

“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.