SCHEMBL4149265

SCHEMBL4149265

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
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 0.94 LMNA (0.51) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL6593154 0.94 LMNA (0.51) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL23524966 0.89 LMNA (0.44) LMNAALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL30748250 0.87 NPSR1 (0.50) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL4652737 0.87 MAPT (0.54) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL3251790 0.87 NPSR1 (0.50) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL11237157 0.87 POLB (0.60) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL16365935 0.86 HTT (0.61) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL10936842 0.85 MAPT (0.55) LMNAALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL2929136 0.85 NPSR1 (0.51) 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 41 patents — showing the first 20. 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
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-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US 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
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 US disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 WO disclosed
WO-2014202763-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEINE KINASE INHIBITORS AB SCIENCE (FR) 2014-12-24 WO disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (5 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B LMNA 3403/4885ALDH1A1 2731/4885NPSR1 1749/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885ALDH1A1 2713/4885NPSR1 2210/4885
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.