SCHEMBL1809565

SCHEMBL1809565

O=[N+]([O-])c1ccc(N2CCNCC2)c(CO)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HTR7 P34969 2/20 0.54
ADRB1 P08588 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
LMNA P02545 3/20 0.51
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
GAA P10253 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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
Hydrochloric Acid SCHEMBL1813431 0.99 ALDH1A1 (0.54) ALDH1A1HTR7ADRB1SIRT6LMNA
SCHEMBL30310906 0.87 FFAR4 (0.46) ALDH1A1HTR7ADRB1SIRT6LMNA
SCHEMBL16824876 0.87 ALDH1A1 (0.67) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL1971542 0.83 ALDH1A1 (0.57) ALDH1A1SIRT6LMNACYP1A2CYP3A4
SCHEMBL1475834 0.83 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL3656638 0.82 ALDH1A1 (0.76) ALDH1A1HTR7ADRB1SIRT6LMNA
SCHEMBL17958742 0.81 LMNA (0.57) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL16570120 0.81 LMNA (0.57) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL1811945 0.81 ALDH1A1 (0.63) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL18186178 0.80 ALDH1A1 (0.53) ALDH1A1LMNAGAAKMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115838375-A Pyrimido-dihydro-pyrazolone derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-03-24 CN disclosed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885HTR7 2297/4885ADRB1 475/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885HTR7 2297/4885ADRB1 475/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 ALDH1A1 755/4885HTR7 2297/4885ADRB1 475/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 ALDH1A1 755/4885HTR7 2297/4885ADRB1 475/4885

“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.