SCHEMBL4991673

SCHEMBL4991673

CC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.73
HPGD P15428 4/20 0.70
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
TDP1 Q9NUW8 1/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 1/20 0.65
MAPK1 P28482 1/20 0.65
MMP13 P45452 1/20 0.65
NPC1 O15118 2/20 0.63
TP53 P04637 1/20 0.63
CRHBP P24387 1/20 0.63
RECQL P46063 1/20 0.63
CRHR2 Q13324 1/20 0.63
RAB9A P51151 1/20 0.63
HSP90AA1 P07900 1/20 0.62

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
SCHEMBL17468447 0.90 ALDH1A1 (0.63) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL179085 0.87 RAB9A (0.76) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL2937877 0.85 SMN1; SMN2 (0.70) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL19278119 0.84 ALDH1A1 (0.72) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL1709310 0.84 HPGD (0.73) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL11744707 0.84 HSD17B10 (0.70) SMN1; SMN2HPGDHSD17B10ALDH1A1TDP1
SCHEMBL8843519 0.84 CYP3A4 (0.61) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL13853513 0.84 SMN1; SMN2 (0.69) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL14368079 0.84 HPGD (0.76) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA
SCHEMBL7322125 0.84 SMN1; SMN2 (0.68) SMN1; SMN2HPGDHSD17B10ALDH1A1GAA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP claimed
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2020-02-27 US disclosed
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2019-10-01 US disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 WO disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (9 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 SMN1; SMN2 3657/4885HPGD 709/4885HSD17B10 2555/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 SMN1; SMN2 3178/4885HPGD 2052/4885HSD17B10 4670/4885
US-10428068-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P SMN1; SMN2 2620/4885HPGD 719/4885HSD17B10 2955/4885

“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.