SCHEMBL1707863

SCHEMBL1707863

COC(=O)c1cccc(Nc2ccc(Cl)cc2[N+](=O)[O-])c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
KCNMA1 Q12791 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX12 P18054 1/20 0.50
DHODH Q02127 1/20 0.47
G6PD P11413 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
APP P05067 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9888489 0.89 AKR1C3 (0.60) SMN1; SMN2MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL1707828 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APOLBAKR1C3
SCHEMBL10008943 0.83 MAPK1 (0.55) SMN1; SMN2MEN1KMT2APOLBL3MBTL1
SCHEMBL10010086 0.82 AKR1C3 (0.55) SMN1; SMN2MEN1KMT2APOLBAKR1C3
SCHEMBL17772043 0.82 AKR1C3 (0.55) SMN1; SMN2MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL1707762 0.79 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2APOLBAKR1C3
SCHEMBL28567894 0.79 KCNMA1 (0.58) SMN1; SMN2MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL2112961 0.78 AKR1C3 (0.67) SMN1; SMN2MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL29532900 0.78 AKR1C3 (0.67) SMN1; SMN2MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL4847691 0.77 AKR1C3 (0.60) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R SMN1; SMN2 4287/4885MEN1 1867/4885KMT2A 4170/4885

“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.