SCHEMBL24994

SCHEMBL24994

O=C(O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.70
TSHR P16473 2/20 0.64
LMNA P02545 2/20 0.64
HCAR3 P49019 8/20 0.58
ALDH1A1 P00352 1/20 0.56
HIF1A Q16665 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
APEX1 P27695 1/20 0.54
VCAM1 P19320 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6827373 0.88 HCAR3 (0.58) CASP6TSHRLMNAHCAR3ALDH1A1
SCHEMBL4605109 0.87 VCAM1 (0.62) CASP6TSHRLMNAALDH1A1HIF1A
SCHEMBL6704718 0.86 ERN1 (0.56) CASP6TSHRLMNAALDH1A1HIF1A
SCHEMBL6238 0.85 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL30001328 0.85 CASP6 (0.70) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL8626465 0.85 TTR (0.62) CASP6TSHRLMNAALDH1A1HIF1A
Acetic Acid SCHEMBL28375520 0.84 MAPT (0.55) CASP6TSHRLMNAHCAR3ALDH1A1
SCHEMBL3476754 0.84 PARP1 (0.65) CASP6TSHRLMNAALDH1A1HIF1A
Hydrochloric Acid SCHEMBL5568198 0.84 CASP6 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL9157 0.84 ITGB1 (0.57) CASP6TSHRLMNAALDH1A1HIF1A

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 1981 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-118812209-A Preparation method of polyvinyl alcohol emulsion modified cement paste generated in situ 海南大学 2024-10-22 CN claimed
CN-118621569-A Polyvinyl alcohol fiber surface acetalation modification method 海南大学 2024-09-10 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-20240011009-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2024-01-11 US claimed
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US claimed
EP-4127157-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-02-08 EP claimed
WO-2022072560-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2022-04-07 WO claimed
EP-1217884-B1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS WOODY PLANT BIOTECH APS (DK) 2007-02-21 EP claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-6897065-B1 Method for maturation of conifer somatic embryos WOODY PLANT BIOTECH APS (DK) 2005-05-24 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1217884-A1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS Woody Plant Biotech APS (DK) 2002-07-03 EP claimed
WO-2001020972-A1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS WOODY PLANT BIOTECH APS (DK) 2001-03-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CASP6 2660/4885TSHR 2894/4885LMNA 1769/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CASP6 2761/4885TSHR 4082/4885LMNA 2024/4885

“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.