SCHEMBL21713264

SCHEMBL21713264

O=C(Nc1ccc(C2=CCCN(C(=O)O)C2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.55
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
DEGS1 O15121 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN2 P17706 1/20 0.45
TMPRSS2 O15393 1/20 0.45

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
SCHEMBL21743091 0.84 NAMPT (0.53) PTPN1NPC1RAB9AMAPTPKM
SCHEMBL29640885 0.76 MYC (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31450581 0.75 LSS (0.46) NPC1RAB9AMAPTSMN1; SMN2NAMPT
SCHEMBL28539765 0.74 MEN1 (0.41) MEN1KMT2ANAMPT
SCHEMBL18085798 0.73 PTPN1 (1.00) PTPN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21713233 0.73 PTPN1 (0.56) PTPN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10136221 0.72 PTPN1 (0.96) PTPN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14160276 0.72 PTPN1 (0.96) PTPN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28985437 0.72 MYC (0.39) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL126415 0.72 PTPN1 (0.87) PTPN1NPC1RAB9AMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629137-B2 Methods of manufacturing of niraparib TESARO, INC. (US) 2023-04-18 US disclosed
EP-3615513-B1 METHODS OF MANUFACTURING OF NIRAPARIB TESARO INC (US) 2022-07-20 EP disclosed
US-11161834-B2 Methods of manufacturing of niraparib TESARO, INC. (US) 2021-11-02 US disclosed
US-20200055837-A1 METHODS OF MANUFACTURING OF NIRAPARIB TESARO, INC. 2020-02-20 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 (3 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-20200055837-A1 METHODS OF MANUFACTURING OF NIRAPARIB PARP2, PARP1, PARP3 PTPN1 3196/4885NPC1 4281/4885RAB9A 3047/4885
US-11161834-B2 Methods of manufacturing of niraparib PARP2, PARP1, PARP3 PTPN1 3196/4885NPC1 4281/4885RAB9A 3047/4885
US-11629137-B2 Methods of manufacturing of niraparib PARP2, PARP1, PARP3 PTPN1 3196/4885NPC1 4281/4885RAB9A 3047/4885

“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.