SCHEMBL21582024

SCHEMBL21582024

[2H]C([2H])([2H])Oc1cc(F)c([N+](=O)[O-])cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ ESPL1 Q14674 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL32671770 0.89 HTT (0.53) HTTTDP1ESPL1ATMALDH1A1
SCHEMBL2924231 0.89 HTT (0.53) HTTTDP1ESPL1ATMALDH1A1
Sulfuric Acid SCHEMBL29027308 0.82 HTT (0.46) HTTTDP1ESPL1ALDH1A1VCAM1
SCHEMBL17670373 0.78 PDK1 (0.42) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL20987168 0.78 MAPT (0.51) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL30459727 0.76 ALDH1A1 (0.41) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL17542594 0.76 TDP1 (0.40) HTTTDP1ESPL1ATMALDH1A1
SCHEMBL30613047 0.76 CYP1A2 (0.38) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL17683072 0.76 ALDH1A1 (0.41) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL15486393 0.76 HTT (0.49) HTTTDP1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 — — US disclosed
WO-2019228330-A1 SUBSTITUTED BENZO[D]IMIDAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 深圳市塔吉瑞生物医药有限公司 (CN) 2019-12-05 — — 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 (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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR HTT 4407/4885TDP1 1074/4885ESPL1 2980/4885

“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.

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