Sugi Predict

Sugi Predict / Compounds / SCHEMBL6840900

SCHEMBL6840900

SCHEMBL6840900

O=[N+]([O-])c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ CASP6 P55212 1/20 0.50
▸ TDP1 Q9NUW8 6/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ DTYMK P23919 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIA3 P42263 1/20 0.40
▸ GRIA4 P48058 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
SCHEMBL275456 0.84 DTYMK (0.62) TSHRCYP3A4CASP6TDP1PARP1
SCHEMBL14371934 0.84 MAPT (0.43) TSHRCYP3A4TDP1MAPK1ATM
SCHEMBL1298366 0.84 TSHR (0.43) TSHRCYP3A4CASP6TDP1MAPK1
SCHEMBL29562216 0.84 TSHR (0.43) TSHRCYP3A4CASP6TDP1MAPK1
SCHEMBL1665978 0.84 PARP1 (0.56) TSHRCYP3A4TDP1MAPK1ATM
SCHEMBL13578450 0.82 MAPT (0.51) TSHRCYP3A4CASP6MAPK1GPR35
SCHEMBL12600832 0.80 PARP1 (0.37) TSHRCYP3A4TDP1MAPK1ATM
SCHEMBL571279 0.80 TDP1 (0.64) TSHRCYP3A4TDP1GPR35CYP1A2
SCHEMBL234120 0.80 ALDH1A1 (0.50) CYP3A4MAPK1CYP1A2MAPTPARP1
SCHEMBL1476705 0.80 ALDH1A1 (0.62) TSHRCASP6TDP1MAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 — — CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 — — CN claimed
CN-116023237-B Continuous preparation method of hydroquinone in water phase 复旦大学 2024-09-06 — — CN disclosed
CN-116574037-A Continuous synthesis method of calcium dobesilate 宁夏元康药业有限公司 2023-08-11 — — CN disclosed
CN-116023237-A Continuous preparation method of hydroquinone in water phase 复旦大学 2023-04-28 — — CN disclosed
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 — — CN disclosed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 — — CN disclosed
CN-105492965-B Aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal indicate element 日产化学工业株式会社 2019-04-09 — — CN disclosed
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 — — US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 — — US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 — — EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 — — US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 — — WO disclosed
EP-0341496-B1 Modified diene polymer rubbers SUMITOMO CHEMICAL CO (JP) 1993-10-20 — — EP disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 — — US disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 — — US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 — — US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 — — US disclosed
EP-0341496-A2 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-15 — — EP disclosed
EP-0270071-A2 Process for preparing modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 — — 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 (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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 TSHR 4313/4885CYP3A4 36/4885CASP6 4124/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 TSHR 4313/4885CYP3A4 36/4885CASP6 4124/4885

“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.