SCHEMBL1096798

SCHEMBL1096798

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP19A1 P11511 4/20 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
SCHEMBL217089 0.85 CYP19A1 (0.56) TSHRTDP1RAB9AMAPTHPGD
SCHEMBL9220403 0.83 MAPT (0.52) TSHRTDP1RAB9AMAPTHPGD
SCHEMBL16959290 0.82 NPBWR1 (0.56) TDP1MAPTHPGDLMNAALDH1A1
SCHEMBL11643839 0.79 TDP1 (0.59) TSHRTDP1RAB9AMAPTHPGD
SCHEMBL31597582 0.79 LTA4H (0.56) TDP1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL30780913 0.78 TDP1 (0.58) TDP1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL215804 0.78 TDP1 (0.58) TDP1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL28474025 0.78 VCAM1 (0.55) RAB9AMAPTHPGDSMN1; SMN2LMNA
SCHEMBL1097194 0.78 KMT2A (0.40) TSHRTDP1RAB9AMAPTHPGD
SCHEMBL985801 0.78 MAPT (0.61) TDP1RAB9AMAPTHPGDSMN1; 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES SOBI, INC. 2022-08-04 US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
WO-2008140421-A2 HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140421-A2 HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
EP-1951729-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
WO-2008060248-A1 INDOLE SUSTITUTED PYRIMIDINES AND USE THEREOF IN THE TREATMENT OF CANCER S*BIO PTE LTD. (SG) 2008-05-22 WO disclosed
WO-2008060248-A1 INDOLE SUSTITUTED PYRIMIDINES AND USE THEREOF IN THE TREATMENT OF CANCER S*BIO PTE LTD. (SG) 2008-05-22 WO disclosed
WO-2007058627-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058627-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO 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 (5 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-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885TDP1 218/4885RAB9A 4280/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885TDP1 218/4885RAB9A 4280/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885TDP1 218/4885RAB9A 4280/4885
US-11135227-B2 Oxygen linked pyrimidine derivatives DPYD, TK2, TK1 TSHR 4633/4885TDP1 218/4885RAB9A 4280/4885
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885TDP1 218/4885RAB9A 4280/4885

“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.