Sugi Predict

Sugi Predict / Compounds / SCHEMBL4663909

SCHEMBL4663909

SCHEMBL4663909

Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 3/20 0.42
▸ PKM P14618 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ GRIN2D O15399 1/20 0.36

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
SCHEMBL561310 0.86 PKM (0.50) TDP1L3MBTL1TSHRPKMCYP3A4
SCHEMBL2299148 0.86 PKM (0.50) TDP1L3MBTL1TSHRPKMCYP3A4
SCHEMBL10381810 0.86 TSHR (0.44) TDP1L3MBTL1TSHRPKMCYP3A4
SCHEMBL1403473 0.86 TSHR (0.44) TDP1L3MBTL1TSHRPKMCYP3A4
SCHEMBL4632603 0.84 ALDH1A1 (0.38) TDP1L3MBTL1TSHRALDH1A1POLB
SCHEMBL18602612 0.82 PKM (0.50) TDP1L3MBTL1TSHRPKMCYP3A4
SCHEMBL10836989 0.81 TDP1 (0.36) TDP1L3MBTL1TSHRALDH1A1POLB
SCHEMBL4918988 0.80 TDP1 (0.52) TDP1L3MBTL1TSHRCYP3A4ALDH1A1
SCHEMBL9098636 0.79 TDP1 (0.51) TDP1L3MBTL1TSHRCYP3A4ACHE
SCHEMBL15957618 0.79 TDP1 (0.51) TDP1L3MBTL1TSHRCYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325723-B2 Acylphosphineoxide initiators AGFA NV (BE) 2025-06-10 — — US disclosed
EP-3914655-B1 RADIATION CURABLE INKJET INKS FOR INTERIOR DECORATION AGFA NV (BE) 2025-04-23 — — EP disclosed
EP-4036178-B1 UV CURABLE COMPOSITIONS AND INKJET PRINTING METHODS AGFA NV (BE) 2024-08-07 — — EP disclosed
US-11845874-B2 Radiation curable inkjet inks for interior decoration AGFA NV (BE) 2023-12-19 — — US disclosed
CN-113302244-B Radiation curable inkjet inks for interior decoration 爱克发有限公司 2023-01-24 — — CN disclosed
CN-112334551-B Acylphosphine oxide initiators 爱克发有限公司 2022-11-08 — — CN disclosed
EP-3810710-B1 ACYLPHOSPHINEOXIDE INITIATORS AGFA NV (BE) 2022-08-10 — — EP disclosed
EP-4036178-A1 UV CURABLE COMPOSITIONS AND INKJET PRINTING METHODS AGFA NV (BE) 2022-08-03 — — EP disclosed
CN-109071979-B Acylphosphine oxide photoinitiators 爱克发有限公司 2022-07-01 — — CN disclosed
US-20220119662-A1 RADIATION CURABLE INKJET INKS FOR INTERIOR DECORATION AGFA NV (BE) 2022-04-21 — — US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 — — US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 — — EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 — — US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 — — US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 — — US disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 — — US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 — — US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 — — EP disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 — — EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 — — 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 (4 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 TDP1 4308/4885L3MBTL1 1493/4885TSHR 1550/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 TDP1 4382/4885L3MBTL1 1574/4885TSHR 1532/4885
US-12325723-B2 Acylphosphineoxide initiators OAT, CPS1, OTC TDP1 3235/4885L3MBTL1 1471/4885TSHR 4558/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 TDP1 2024/4885L3MBTL1 4713/4885TSHR 209/4885

“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.