SCHEMBL18504345

SCHEMBL18504345

O=C1NC(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.81
▸ XDH P47989 1/20 0.81
▸ CNR1 P21554 1/20 0.74
▸ HPGD P15428 8/20 0.70
▸ IGF1R P08069 2/20 0.65
▸ GSK3B P49841 1/20 0.64
▸ MMP13 P45452 1/20 0.60
▸ ADAMTS5 Q9UNA0 1/20 0.60
▸ PTPN1 P18031 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ PIM1 P11309 1/20 0.57
▸ AKR1B1 P15121 1/20 0.57
▸ PIM2 Q9P1W9 1/20 0.57

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
SCHEMBL14757 0.90 IDH1 (1.00) IDH1XDHCNR1HPGDGSK3B
SCHEMBL1250306 0.89 HPGD (0.74) IDH1XDHHPGDMMP13PTPN1
SCHEMBL1250305 0.89 HPGD (0.74) IDH1XDHHPGDMMP13PTPN1
SCHEMBL1248797 0.86 CNR1 (0.81) CNR1HPGDIGF1RMMP13ADAMTS5
SCHEMBL1248799 0.86 CNR1 (0.81) CNR1HPGDIGF1RMMP13ADAMTS5
SCHEMBL9433307 0.86 CNR1 (0.81) CNR1HPGDIGF1RMMP13ADAMTS5
SCHEMBL8159449 0.84 HPGD (0.81) CNR1HPGDIGF1RMMP13ADAMTS5
SCHEMBL8159450 0.84 HPGD (0.81) CNR1HPGDIGF1RMMP13ADAMTS5
SCHEMBL8877394 0.83 IGF1R (0.64) IDH1XDHCNR1HPGDIGF1R
SCHEMBL6923859 0.81 CNR1 (0.80) CNR1HPGDIGF1RMMP13ADAMTS5

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-9982309-B2 Method for treating cell proliferation related disorders AGIOS PHARMACEUTICALS, INC. (US) 2018-05-29 — — US disclosed
US-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS SERVIER PHARMACEUTICALS LLC 2017-02-16 — — 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 (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-20170044620-A1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS IDH2, IDH1, IDH3B IDH1 2/4885XDH 1723/4885CNR1 3757/4885

“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.

Send feedback