SCHEMBL29447181

SCHEMBL29447181

O=C1C=C(c2ccccc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
S100A4 P26447 2/20 0.44
PTPRC P08575 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 1/20 0.42
GUSB P08236 1/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 5/20 0.41
BRAF P15056 1/20 0.41
RPS6KA5 O75582 1/20 0.41
ABL1 P00519 1/20 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
SCHEMBL187145 1.00 PTPN1 (0.55) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL22636896 0.86 S100A4 (0.44) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL2349549 0.84 S100A4 (0.42) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL27664385 0.80 GSK3B (0.50) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL121405 0.80 GSK3B (0.50) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL27146064 0.80 TDP1 (0.53) ALDH1A1TDP1S100A4PTPRCSMN1; SMN2
SCHEMBL11120799 0.78 GSK3B (0.48) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL5879296 0.77 CLK1 (0.49) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL30535903 0.73 ALDH1A1 (0.74) PTPN1ALDH1A1TDP1S100A4PTPRC
SCHEMBL1287837 0.73 ALDH1A1 (0.74) PTPN1ALDH1A1TDP1S100A4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702445-B1 NOVEL MUSCULOSKELETAL STEM CELL CELLATOZ THERAPEUTICS INC (KR) 2022-12-07 EP claimed
WO-2025106671-A1 PERSONALIZED PROGENITOR CELLS IMMORTA BIO, INC. (US) 2025-05-22 WO disclosed
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME TOSOH FINECHEM CORPORATION (JP) 2025-03-20 US disclosed
CN-108934168-B Improved methods for reprogramming non-pluripotent cells to pluripotent stem cells 北昊干细胞与再生医学研究院有限公司 2022-05-03 CN disclosed
CN-114207111-A Method for preparing skin-derived pluripotent precursor cells 花王株式会社 2022-03-18 CN 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 (1 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-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME BRPF1, WEE2, WEE1 PTPN1 398/4885ALDH1A1 2374/4885TDP1 1046/4885

“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.