SCHEMBL717176

SCHEMBL717176

COc1ccccc1C(=O)OC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CTSD P07339 1/20 0.56
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 5/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
STAT3 P40763 1/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL446339 0.88 HPGD (0.59) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL125031 0.85 HPGD (0.56) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL554492 0.83 HPGD (0.54) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL7172322 0.83 HPGD (0.54) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL6208809 0.83 HPGD (0.51) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL8439409 0.82 TSHR (0.46) HPGDALDH1A1L3MBTL1NPC1MAPT
SCHEMBL17641437 0.81 CTSD (0.59) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL31321657 0.81 ESR1 (0.66) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL264288 0.80 IRAK4 (0.63) HPGDALDH1A1CTSDRAB9ASMN1; SMN2
SCHEMBL48968 0.80 HPGD (0.59) HPGDALDH1A1CTSDRAB9ASMN1; SMN2

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
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 CN disclosed
CN-109475555-A Topical formulations of PDE-4 inhibitors and methods of their use 德马特科学有限公司 2019-03-15 CN disclosed
US-20120053342-A1 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-03-01 US disclosed
US-8058469-B2 Method for making carbamates, ureas and isocyanates SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-11-15 US disclosed
EP-2362867-A2 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC Innovative Plastics IP B.V. (NL) 2011-09-07 EP disclosed
WO-2010062490-A2 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-06-03 WO disclosed
US-20100113819-A1 Method for Making Carbamates, Ureas and Isocyanates SABIC INNOVATIVE PLASTICS IP BV (NL) 2010-05-06 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 (2 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-20100113819-A1 Method for Making Carbamates, Ureas and Isocyanates CPS1, ALKBH3, KDM8 HPGD 1109/4885ALDH1A1 2313/4885CTSD 733/4885
US-20120053342-A1 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES CPS1, ALKBH3, IDH3A HPGD 1217/4885ALDH1A1 2343/4885CTSD 765/4885

“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.