SCHEMBL1358601

SCHEMBL1358601

COc1cc(COC(=O)N(C2CCC2)C2CCC2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 8/20 0.45
CYP2D6 P10635 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL1357848 0.99 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL1357850 0.98 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL1357842 0.96 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL1357389 0.82 NPC1 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL1358005 0.81 HTT (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL26661473 0.80 RAB9A (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL1357412 0.80 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL11593077 0.79 RAB9A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL4075702 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL11593080 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1CYP2D6

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-8859186-B2 Polyimide precursor, resin composition comprising the polyimide precursor, pattern forming method using the resin composition, and articles produced by using the resin composition DAI NIPPON PRINTING CO., LTD. (JP) 2014-10-14 US disclosed
US-20110281218-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION DAI NIPPON PRINTING CO., LTD. (JP) 2011-11-17 US disclosed
US-20090263745-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION DAI NIPPON PRINTING CO., LTD. (JP) 2009-10-22 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-20090263745-A1 POLYIMIDE PRECURSOR, RESIN COMPOSITION COMPRISING THE POLYIMIDE PRECURSOR, PATTERN FORMING METHOD USING THE RESIN COMPOSITION, AND ARTICLES PRODUCED BY USING THE RESIN COMPOSITION TERB1, PUF60, CD79B SMN1; SMN2 3054/4885RAB9A 1051/4885NPC1 4864/4885

“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.