Sugi Predict

Sugi Predict / Compounds / SCHEMBL8380657

SCHEMBL8380657

SCHEMBL8380657

O=[N+]([O-])c1cc(F)ccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ ATM Q13315 1/20 0.52
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ PTGES O14684 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KCNMA1 Q12791 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSPB1 P04792 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ PDE7A Q13946 1/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ EIF4E P06730 3/20 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
SCHEMBL29563324 0.89 TDP1 (0.55) TDP1ALDH1A1ATMPTGESMAPT
SCHEMBL15379986 0.89 TDP1 (0.55) TDP1ALDH1A1ATMPTGESMAPT
SCHEMBL3514226 0.86 ALDH1A1 (0.61) TDP1ALDH1A1ATMCRHBPCRHR2
SCHEMBL29462665 0.85 ATM (0.63) TDP1ALDH1A1ATMMAPTKCNMA1
SCHEMBL23579356 0.83 ABCG2 (0.52) TDP1ALDH1A1MAPTRAB9APOLB
SCHEMBL9031419 0.83 TDP1 (0.49) TDP1ALDH1A1ATMMAPTRAB9A
SCHEMBL3276362 0.81 TDP1 (0.66) TDP1ALDH1A1ATMCRHBPCRHR2
SCHEMBL30352851 0.81 TDP1 (0.66) TDP1ALDH1A1ATMCRHBPCRHR2
SCHEMBL15383933 0.81 TDP1 (0.55) TDP1ALDH1A1ATMMAPTKCNMA1
SCHEMBL15461976 0.81 ALDH1A1 (0.69) TDP1ALDH1A1CRHBPCRHR2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674071-B Carbazole-containing sulfonamides as cryptochrome modulators 同步制药公司 2021-12-31 — — CN disclosed
CN-111039849-B Preparation method of carbazole ring-containing compound 阜阳欣奕华材料科技有限公司 2021-07-06 — — CN disclosed
CN-111039849-A Preparation method of carbazole ring-containing compound 阜阳欣奕华材料科技有限公司 2020-04-21 — — CN disclosed
US-10383880-B2 Carbazole-containing sulfonamides as cryptochrome modulators Synchronicity (US) 2019-08-20 — — US disclosed
US-10383880-B2 Carbazole-containing sulfonamides as cryptochrome modulators Synchronicity (US) 2019-08-20 — — US disclosed
EP-2855458-B1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS RESET THERAPEUTICS INC (US) 2018-08-08 — — EP disclosed
EP-2855458-B1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS RESET THERAPEUTICS INC (US) 2018-08-08 — — EP disclosed
US-20180071306-A1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS Synchronicity Pharma, Inc. 2018-03-15 — — US disclosed
US-20180071306-A1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS Synchronicity Pharma, Inc. 2018-03-15 — — US disclosed
US-20180071306-A1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS Synchronicity Pharma, Inc. 2018-03-15 — — US disclosed
US-20130303524-A1 Carbazole-Containing Sulfonamides as Cryptochrome Modulators Synchronicity Pharma, Inc. 2013-11-14 — — US disclosed
US-20130303524-A1 Carbazole-Containing Sulfonamides as Cryptochrome Modulators Synchronicity Pharma, Inc. 2013-11-14 — — US disclosed
EP-0767768-B1 HALOALKYLATION PROCESS ALBEMARLE CORP (US) 1999-03-31 — — EP disclosed
EP-0767768-A1 HALOALKYLATION PROCESS ALBEMARLE CORPORATION (US) 1997-04-16 — — EP disclosed
WO-1996000202-A1 HALOALKYLATION PROCESS ALBEMARLE CORPORATION (US) 1996-01-04 — — WO disclosed
US-5475170-A Haloalkylation process ALBERMARLE CORPORATION (US) 1995-12-12 — — US disclosed
US-5319150-A Chloroalkylation of aromatic compounds ALBEMARLE CORPORATION (US) 1994-06-07 — — US disclosed
US-5136115-A BROMOALKYLATION OF AROMATIC COMPOUNDS ALBERMARLE CORPORATION 1992-08-04 — — US disclosed
US-4721790-A Nucleophilic substitution process for fluoronitroaralkyloxazoline ETHYL CORPORATION (US) 1988-01-26 — — US disclosed
US-4540795-A Fluoronitroaralkyloxazolines, derivatives thereof, and nucleophilic substitution processes for preparing them ETHYL CORPORATION (US) 1985-09-10 — — US 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 (3 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-20130303524-A1 Carbazole-Containing Sulfonamides as Cryptochrome Modulators CRY1, CRY2, CRYAB TDP1 3308/4885ALDH1A1 1868/4885ATM 3224/4885
US-10383880-B2 Carbazole-containing sulfonamides as cryptochrome modulators CRY1, CRY2, CRYAB TDP1 3362/4885ALDH1A1 1829/4885ATM 3281/4885
US-20180071306-A1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS CRY1, CRY2, CRYAB TDP1 3362/4885ALDH1A1 1829/4885ATM 3281/4885

“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.