Sugi Predict

Sugi Predict / Compounds / SCHEMBL654449

SCHEMBL654449

SCHEMBL654449

COc1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ GPR35 Q9HC97 1/20 0.50
▸ CYP3A4 P08684 3/20 0.48
▸ PTGS2 P35354 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ ERN1 O75460 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ACHE P22303 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5491264 0.88 ALDH1A1 (0.58) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL12776963 0.88 HTT (0.51) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL23499773 0.87 ALDH1A1 (0.51) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL28413881 0.87 TDP1 (0.55) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL2100704 0.87 ALDH1A1 (0.52) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL22658166 0.87 HTT (0.53) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL15299073 0.84 ERN1 (0.56) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL8986276 0.82 HTT (0.45) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL7053647 0.82 PKM (0.51) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL25514817 0.82 VCAM1 (0.49) TSHRALDH1A1TDP1GPR35CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 — — CN claimed
CN-118146102-A Method for synthesizing diaryl amine or triarylamine by using nitroaromatic hydrocarbon as raw material 广西大学 2024-06-07 — — CN disclosed
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 — — CN disclosed
CN-114507252-A Synthesis method of novel aryl silane compound 广西大学 2022-05-17 — — CN disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 — — US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 — — US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 — — US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 — — US disclosed
US-20020042416-A1 Antiinflammatory agents FREYNE EDDY JEAN EDGARD (BE) 2002-04-11 — — US disclosed
EP-1003729-A1 6-AZAURACIL DERIVATIVES AS IL-5 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-31 — — EP disclosed
WO-1999002504-A1 6-AZAURACIL DERIVATIVES AS IL-5 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 — — WO disclosed
US-5674876-A ANTIPROLIFERATIVE,-CARCINOGENIC AND -TUMOR AGENTS; SKIN DISORDERS; FREE RADICAL SCAVENGERS RESEARCH DEVELOPMENT FOUNDATION (US) 1997-10-07 — — US disclosed
WO-1996022089-A1 p-HETEROATOM-SUBSTITUTED PHENOLS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1996-07-25 — — WO disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 — — EP disclosed
EP-0287328-B1 PREPARATION OF CHROMOGENIC CRYPTAHEMISPHERANDS Bayer Corporation (US) 1993-10-06 — — EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 — — US disclosed
US-4845212-A Process for the preparation of chromogenic cryptahemispherands TECHNICON INSTRUMENTS CORPORATION (US) 1989-07-04 — — US disclosed
EP-0287328-A2 Preparation of chromogenic cryptahemispherands Bayer Corporation (US) 1988-10-19 — — EP 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 (6 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-20020042416-A1 Antiinflammatory agents CCR1, CCR6, FPR1 TSHR 4059/4885ALDH1A1 957/4885TDP1 2384/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TSHR 1524/4885ALDH1A1 2891/4885TDP1 1115/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885ALDH1A1 2891/4885TDP1 1115/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885ALDH1A1 2891/4885TDP1 1115/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885ALDH1A1 2891/4885TDP1 1115/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TSHR 1524/4885ALDH1A1 2891/4885TDP1 1115/4885

“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.