SCHEMBL8991922

SCHEMBL8991922

CCOC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GALR2 O43603 1/20 0.52
MITF O75030 1/20 0.52
HSP90AA1 P07900 1/20 0.52
XBP1 P17861 1/20 0.52
CCR6 P51684 1/20 0.52
MAPT P10636 5/20 0.52
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 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
Dimethylamine SCHEMBL9346894 0.96 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL8991985 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL31391703 0.88 MAPT (0.55) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL3092769 0.88 MAPT (0.55) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL11110230 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL148384 0.85 MAPT (0.56) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL14114749 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL5115555 0.84 CA12 (0.62) ALDH1A1SMN1; SMN2HPGDPOLBLMNA
SCHEMBL137523 0.83 SIRT6 (0.56) ALDH1A1SMN1; SMN2MAPTTSHRTDP1
SCHEMBL31548078 0.83 SIRT6 (0.56) ALDH1A1SMN1; SMN2MAPTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed
US-12012410-B2 Substituted pyrazolo[1,5-a]pyrazines for spinal muscular atrophy REBORNA BIOSCIENCES, INC. (JP) 2024-06-18 US disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed
EP-3230287-B1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-10-10 EP disclosed
US-9981976-B2 Piperidine substituted pyrazolo[1,5-A]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-05-29 US disclosed
US-9981976-B2 Piperidine substituted pyrazolo[1,5-A]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-05-29 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
EP-3230287-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland UC (IE) 2017-10-18 EP disclosed
WO-2016091774-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 WO disclosed
WO-2016091774-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 WO disclosed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 US disclosed
CN-1021191-C SUBSTITUTED 3-(4-NITROPHENOXY) PYRAZOLES HERBICIDES COMPOSITION MONSANTO CO (US) 1993-06-16 CN disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 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-12012410-B2 Substituted pyrazolo[1,5-a]pyrazines for spinal muscular atrophy SMN1; SMN2, HDAC5, PUM1 ALDH1A1 1801/4885SMN1; SMN2 1/4885HPGD 2236/4885
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) ZC3HAV1, RRP15, PIR ALDH1A1 1588/4885SMN1; SMN2 799/4885HPGD 2534/4885

“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.