SCHEMBL10179612

SCHEMBL10179612

Cc1cc([N+](=O)[O-])cc2ccn(Cc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
TLR7 Q9NYK1 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
NAMPT P43490 1/20 0.36
IGF1R P08069 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL10203530 0.92 DDB1 (0.41) WNT3ADDB1CRBNALDH1A1LMNA
SCHEMBL10179375 0.89 CCR5 (0.34) KMT2A
SCHEMBL10179628 0.88 DDB1 (0.45) WNT3ADDB1CRBNALDH1A1LMNA
SCHEMBL10181071 0.83 GPR119 (0.45) GPR119JAK2JAK3PTK2
SCHEMBL14142016 0.83 SMN1; SMN2 (0.40) WNT3ADDB1CRBNALDH1A1LMNA
SCHEMBL10203527 0.81 DDB1 (0.44) WNT3ADDB1CRBNGPR119TLR7
SCHEMBL10179775 0.81 TLR7 (0.39) WNT3ADDB1CRBNALDH1A1LMNA
SCHEMBL10179510 0.79 STAT3 (0.34)
SCHEMBL10179508 0.79 STAT3 (0.34)
SCHEMBL10179223 0.78 GPR119 (0.48) DDB1CRBNGPR119

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-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 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 (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-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 WNT3A 1372/4885DDB1 4538/4885CRBN 1845/4885

“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.