Sugi Predict

Sugi Predict / Compounds / SCHEMBL6593154

SCHEMBL6593154

SCHEMBL6593154

CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GALR2 O43603 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 5/20 0.46
▸ SLC9A1 P19634 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ RECQL P46063 1/20 0.41

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
SCHEMBL29568385 1.00 LMNA (0.51) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL4149265 0.94 LMNA (0.48) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL2309925 0.87 LMNA (0.50) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL11237157 0.87 POLB (0.60) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL16322203 0.86 HTT (0.61) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL5203193 0.85 GAA (0.55) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL30763475 0.84 SMN1; SMN2 (0.48) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL9846808 0.84 SMN1; SMN2 (0.48) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL30748250 0.84 NPSR1 (0.50) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL3251790 0.84 NPSR1 (0.50) LMNAALDH1A1NPSR1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 — — US disclosed
CN-114555555-B Process for preparing 1,1' -disulfanediylbis (4-fluoro-2-methyl-5-nitrobenzene) 拜耳公司 2024-03-01 — — CN disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 — — US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 — — US disclosed
US-20220348538-A1 PROCESS OF PREPARING 1,1'-DISULFANDIYLBIS(4-FLUORO-2-METHYL-5-NITROBENZOL) BAYER AKTIENGESELLSCHAFT (DE) 2022-11-03 — — US disclosed
US-20220348538-A1 PROCESS OF PREPARING 1,1'-DISULFANDIYLBIS(4-FLUORO-2-METHYL-5-NITROBENZOL) BAYER AKTIENGESELLSCHAFT (DE) 2022-11-03 — — US disclosed
EP-4045482-A1 PROCESS OF PREPARING 1,1'-DISULFANDIYLBIS(4-FLUORO-2-METHYL-5-NITROBENZOL) Bayer Aktiengesellschaft (DE) 2022-08-24 — — EP disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 — — WO disclosed
CN-114555555-A Process for preparing 1, 1' -dithioalkanediyl bis (4-fluoro-2-methyl-5-nitrobenzene) 拜耳公司 2022-05-27 — — CN disclosed
WO-2021124155-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2021-06-24 — — WO disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 — — US disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 — — US disclosed
WO-2021074108-A1 PROCESS OF PREPARING 1,1'-DISULFANDIYLBIS(4-FLUORO-2-METHYL-5-NITROBENZOL) BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 — — WO disclosed
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 — — EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 — — US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 — — 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 (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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK LMNA 3439/4885ALDH1A1 412/4885NPSR1 4652/4885
US-20220348538-A1 PROCESS OF PREPARING 1,1'-DISULFANDIYLBIS(4-FLUORO-2-METHYL-5-NITROBENZOL) DDT, PFAS, DNPH1 LMNA 3666/4885ALDH1A1 223/4885NPSR1 583/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK LMNA 3750/4885ALDH1A1 242/4885NPSR1 4135/4885
US-20210188829-A1 Chemical Compounds ITK, HRH4, HRH1 LMNA 3955/4885ALDH1A1 167/4885NPSR1 3027/4885

“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.